C3B
Summary
| Name: | 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one |
| Synonyms: | 1-D-glucopyranosyl-cytosine 4-amino-1-beta-D-glucosylpyrimidin-2(1H)-one; 4-amino-1-D-glucosylpyrimidin-2(1H)-one; 4-amino-1-glucosylpyrimidin-2(1H)-one |
| Formula: | C10 H15 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 273.243 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 4-amino-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7+,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | YYUQXKHCNLFJNF-DDIGBBAMSA-N |
