P0C
Summary
| Name: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one |
| Synonyms: | 6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one |
| Formula: | C12 H15 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 281.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one |
| OpenEye OEToolkits | 1.9.2 | 3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | GCNYJWODKQPZDE-TURQNECASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1 |
| SMILES | CACTVS | 3.385 | CC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N=C2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C(O3)CO)O)O |
