4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide hydrate hydrochloride

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide hydrate hydrochloride Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide hydrate hydrochloride CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(2-fluorophenyl)-1-piperazinecarboxamide hydrate hydrochloride IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide hydrate hydrochloride Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide hydrate hydrochloride Formula: C21H26ClFN6O4 MolecularWeight: 480.920343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4F)N)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4F)N)OC.O.Cl

InChI

InChI=1S/C21H23FN6O3.ClH.H2O/c1-30-17-11-13-16(12-18(17)31-2)24-20(26-19(13)23)27-7-9-28(10-8-27)21(29)25-15-6-4-3-5-14(15)22;;/h3-6,11-12H,7-10H2,1-2H3,(H,25,29)(H2,23,24,26);1H;1H2