MF7
Summary
| Name: | N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
| Formula: | C11 H18 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 379.263 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-5-[[2-azanyl-5-[methanoyl(methyl)amino]-6-oxidanyl-pyrimidin-4-yl]amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CN(c1c(nc(nc1O)N)NC2OC(C(O)C2)COP(=O)(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H18N5O8P/c1-16(4-17)8-9(14-11(12)15-10(8)19)13-7-2-5(18)6(24-7)3-23-25(20,21)22/h4-7,18H,2-3H2,1H3,(H2,20,21,22)(H4,12,13,14,15,19)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | XUOKFUXZTMGJBY-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C=O)c1c(O)nc(N)nc1N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2 |
| SMILES | CACTVS | 3.385 | CN(C=O)c1c(O)nc(N)nc1N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C=O)c1c(nc(nc1O)N)NC2CC(C(O2)COP(=O)(O)O)O |
