6SZ
Summary
| Name: | 2-Aminopurine riboside-3',5'-cyclic monophosphate |
| Synonyms: | 2-NH2-cPuMP |
| Formula: | C10 H12 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 329.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (4~{a}~{R},6~{R},7~{R},7~{a}~{S})-6-(2-azanylpurin-9-yl)-2-oxidanyl-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZZUVWWINFTZMGV-JXOAFFINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc2ncn([C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1ncc2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1c2c(nc(n1)N)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O |
