A1I5H
Summary
| Name: | 2-azanyl-4-methoxy-6-(4-oxidanylcyclohexyl)-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| Formula: | C13 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 278.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-4-methoxy-6-(4-oxidanylcyclohexyl)-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O3/c1-20-11-10-9(15-13(14)16-11)6-17(12(10)19)7-2-4-8(18)5-3-7/h7-8,18H,2-6H2,1H3,(H2,14,15,16)/t7-,8+ |
| InChIKey | InChI | 1.06 | ARZZIEXRMVZGIF-OCAPTIKFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(N)nc2CN([C@H]3CC[C@@H](O)CC3)C(=O)c12 |
| SMILES | CACTVS | 3.385 | COc1nc(N)nc2CN([CH]3CC[CH](O)CC3)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c2c(nc(n1)N)CN(C2=O)C3CCC(CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c2c(nc(n1)N)CN(C2=O)C3CCC(CC3)O |
