F7R
Summary
| Name: | [(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| Formula: | C9 H15 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 322.212 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H15N4O7P/c10-7-1-2-13(9(16)12-7)3-8(15)11-6(4-14)5-20-21(17,18)19/h1-2,6,14H,3-5H2,(H,11,15)(H2,10,12,16)(H2,17,18,19)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | WZINKHQUEQYIEP-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(CC(=O)N[C@H](CO)CO[P](O)(O)=O)C=C1 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(CC(=O)N[CH](CO)CO[P](O)(O)=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)CC(=O)NC(CO)COP(=O)(O)O |
