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RNK : Summary
Code
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RNK
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One-letter code
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X
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Molecule name
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4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
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Systematic names
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Formula
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C11 H12 Cl N3 O S
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Formal charge
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0
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Molecular weight
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269.75 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN1N=CC(=C(Cl)C1=O)NCc2sccc2C |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl |
Canonical SMILES
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CACTVS |
3.385 |
CN1N=CC(=C(Cl)C1=O)NCc2sccc2C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl |
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IUPAC InChI | InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3 |
IUPAC InChI key | UTXFLBKLCRBXBW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (17 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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2016-12-06
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Last modified at
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2017-12-15
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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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