NVG
Summary
| Name: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE |
| Formula: | C19 H22 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 414.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-1-(5-{[3-(1H-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-L-lyxofuranosyl)pyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | N-[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-(1H-benzimidazol-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)CCc3nc4ccccc4n3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H](CNC(=O)CCc3[nH]c4ccccc4n3)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H22N6O5/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29)/t12-,16+,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | IHRYIMVLMZNCKA-FCRVUTKVSA-N |
