FAX
Summary
| Name: | [(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| Formula: | C11 H18 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 347.264 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [(1R,2S,4R)-4-[(6-azanyl-5-formamido-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2CC(Nc1ncnc(N)c1NC=O)CC2O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N5O6P/c12-10-9(15-5-17)11(14-4-13-10)16-7-1-6(8(18)2-7)3-22-23(19,20)21/h4-8,18H,1-3H2,(H,15,17)(H2,19,20,21)(H3,12,13,14,16)/t6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | DELGOZVNUACBKX-PRJMDXOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc(N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2)c1NC=O |
| SMILES | CACTVS | 3.370 | Nc1ncnc(N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)c1NC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc(c(c(n1)NC2CC(C(C2)O)COP(=O)(O)O)NC=O)N |
