AOF
Summary
| Name: | N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine |
| Formula: | C9 H15 N4 O9 P |
| Formal charge: | 0 |
| Formula weight: | 354.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(NC=1NC(=O)NC(=O)C=1N)C(O)C2O |
| InChI | InChI | 1.03 | InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | LZEXYCAGPMYXLX-UMMCILCDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=C(N[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)NC(=O)NC1=O |
| SMILES | CACTVS | 3.370 | NC1=C(N[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O |
