HCU
Summary
| Name: | [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate |
| Synonyms: | Penciclovir phosphate |
| Formula: | C10 H16 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 333.238 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | BLURMGIBVBRPQT-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)c2ncn(CC[C@H](CO)CO[P](O)(O)=O)c2N1 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CCC(CO)COP(=O)(O)O)NC(=NC2=O)N |
