1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(2-nitro-1-imidazolyl)-2-propanol IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-(2-nitroimidazol-1-yl)propan-2-ol Formula: C20H26N8O5 MolecularWeight: 458.47104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC(CN4C=CN=C4[N+](=O)[O-])O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC(CN4C=CN=C4[N+](=O)[O-])O)N)OC

InChI

InChI=1S/C20H26N8O5/c1-32-16-9-14-15(10-17(16)33-2)23-19(24-18(14)21)26-7-5-25(6-8-26)11-13(29)12-27-4-3-22-20(27)28(30)31/h3-4,9-10,13,29H,5-8,11-12H2,1-2H3,(H2,21,23,24)