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VIA : Summary
Code 
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VIA
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One-letter code 
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X
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Molecule name 
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5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
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Synonyms 
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SILDENAFIL
VIAGRA
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Systematic names 
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Formula 
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C22 H30 N6 O4 S
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Formal charge 
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0
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Molecular weight 
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474.576 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(N1CCN(C)CC1)c4cc(C2=Nc3c(C(=O)N2)n(nc3CCC)C)c(OCC)cc4 |
SMILES
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CACTVS |
3.341 |
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C |
Canonical SMILES
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CACTVS |
3.341 |
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C |
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IUPAC InChI  | InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
IUPAC InChI key  | BNRNXUUZRGQAQC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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63 (33 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2003-05-07
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Last modified at 
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2020-01-26
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Status 
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Released
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Obsoleted 
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Not Assigned
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