[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-cyclobutyl-methanone hydrate hydrochloride

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-cyclobutyl-methanone hydrate hydrochloride Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-cyclobutyl-methanone hydrate hydrochloride CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-cyclobutylmethanone hydrate hydrochloride IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclobutylmethanone hydrate hydrochloride Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-cyclobutyl-methanone hydrate hydrochloride Formula: C19H28ClN5O4 MolecularWeight: 425.90972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCC4)N)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCC4)N)OC.O.Cl

InChI

InChI=1S/C19H25N5O3.ClH.H2O/c1-26-15-10-13-14(11-16(15)27-2)21-19(22-17(13)20)24-8-6-23(7-9-24)18(25)12-4-3-5-12;;/h10-12H,3-9H2,1-2H3,(H2,20,21,22);1H;1H2