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

Systemtic Name: 6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonylpiperazino]quinazolin-4-yl]amine hydrochloride Formula: C26H28ClN5O4S MolecularWeight: 542.04962

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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)C5=CC=CC=C5)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OC.Cl

InChI

InChI=1S/C26H27N5O4S.ClH/c1-34-23-16-21-22(17-24(23)35-2)28-26(29-25(21)27)30-12-14-31(15-13-30)36(32,33)20-10-8-19(9-11-20)18-6-4-3-5-7-18;/h3-11,16-17H,12-15H2,1-2H3,(H2,27,28,29);1H