7CH
Summary
| Name: | (2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
| Synonyms: | 7-CH-cAMP |
| Formula: | C11 H13 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 328.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
| OpenEye OEToolkits | 1.7.6 | (4aR,6R,7R,7aS)-6-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P3(OCC4OC(n2c1ncnc(N)c1cc2)C(O)C4O3)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | LCYHXWIEMRESTK-KCGFPETGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(ccc12)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(ccc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cn(c2c1c(ncn2)N)C3C(C4C(O3)COP(=O)(O4)O)O |
