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0FT : Summary
Code 
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0FT
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One-letter code 
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X
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Molecule name 
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1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
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Systematic names 
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Formula 
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C13 H17 N5 O6
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Formal charge 
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0
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Molecular weight 
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339.304 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1C(=CN(C(=O)N1)Cc2nnn(c2)C3OC(C(O)C3O)CO)C |
SMILES
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CACTVS |
3.370 |
CC1=CN(Cc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=CN(C(=O)NC1=O)Cc2cn(nn2)C3C(C(C(O3)CO)O)O |
Canonical SMILES
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CACTVS |
3.370 |
CC1=CN(Cc2cn(nn2)[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O |
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IUPAC InChI  | InChI=1S/C13H17N5O6/c1-6-2-17(13(23)14-11(6)22)3-7-4-18(16-15-7)12-10(21)9(20)8(5-19)24-12/h2,4,8-10,12,19-21H,3,5H2,1H3,(H,14,22,23)/t8-,9-,10+,12+/m0/s1 |
IUPAC InChI key  | FVDUYFCPFLONHE-UXCLJVHYSA-N |
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wwPDB Information |
Atom count 
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41 (24 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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2012-08-10
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Last modified at 
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2012-11-16
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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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