PZG
Summary
| Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid |
| Formula: | C14 H18 N7 O7 P |
| Formal charge: | 0 |
| Formula weight: | 427.309 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18N7O7P/c1-5-7(2-17-20-5)29(25,26)27-3-6-9(22)10(23)13(28-6)21-4-16-8-11(21)18-14(15)19-12(8)24/h2,4,6,9-10,13,22-23H,3H2,1H3,(H,17,20)(H,25,26)(H3,15,18,19,24)/t6-,9-,10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | KSGRBDIXLOOOHG-ZRFIDHNTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]cc1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N |
| SMILES | CACTVS | 3.385 | Cc1n[nH]cc1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(c[nH]n1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O |
