8LK
Summary
| Name: | Pyrrolo-dC |
| Synonyms: | 3-[(2R,4S,5R)-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one 6-Methyl-3-(beta-D-2-deoxyribofuranosyl)pyrrolo[2,3-d]pyrimidin-2-one; N-Pyrrolo-2'-deoxycytidine |
| Formula: | C12 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 265.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3O4/c1-6-2-7-4-15(12(18)14-11(7)13-6)10-3-8(17)9(5-16)19-10/h2,4,8-10,16-17H,3,5H2,1H3,(H,13,14,18)/t8-,9+,10+/m0/s1 |
| InChIKey | InChI | 1.06 | NMRPZKUERWKZCL-IVZWLZJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC2=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N=C2N1 |
| SMILES | CACTVS | 3.385 | CC1=CC2=CN([CH]3C[CH](O)[CH](CO)O3)C(=O)N=C2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)CO)O |
