VZF
Summary
| Name: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one |
| Formula: | C20 H28 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 416.474 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24) |
| InChIKey | InChI | 1.06 | PNROCVKVRSRTPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1c2c(c(nc(n2)N(CCO)CCO)NCc3ccc(cc3)OC)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1c2c(c(nc(n2)N(CCO)CCO)NCc3ccc(cc3)OC)NC1=O |
