2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: [2-(4-brosylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]amine hydrochloride Formula: C20H23BrClN5O4S MolecularWeight: 544.84972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5O4S.ClH/c1-29-17-11-15-16(12-18(17)30-2)23-20(24-19(15)22)25-7-9-26(10-8-25)31(27,28)14-5-3-13(21)4-6-14;/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24);1H