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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-phenyl-methanone hydrochloride Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-phenyl-methanone hydrochloride CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-phenylmethanone hydrochloride IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone hydrochloride Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-phenyl-methanone hydrochloride Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)N)OC.Cl

InChI

InChI=1S/C21H23N5O3.ClH/c1-28-17-12-15-16(13-18(17)29-2)23-21(24-19(15)22)26-10-8-25(9-11-26)20(27)14-6-4-3-5-7-14;/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24);1H