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

Systemtic Name: 2-[4-[4-(4-butylphenyl)phenyl]sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: 2-[4-[4-(4-butylphenyl)phenyl]sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: 2-[4-[4-(4-butylphenyl)phenyl]sulfonyl-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: 2-[4-[4-(4-butylphenyl)phenyl]sulfonylpiperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: [2-[4-[4-(4-butylphenyl)phenyl]sulfonylpiperazino]-6,7-dimethoxy-quinazolin-4-yl]amine hydrochloride Formula: C30H36ClN5O4S MolecularWeight: 598.15594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC.Cl

InChI

InChI=1S/C30H35N5O4S.ClH/c1-4-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)40(36,37)35-17-15-34(16-18-35)30-32-26-20-28(39-3)27(38-2)19-25(26)29(31)33-30;/h7-14,19-20H,4-6,15-18H2,1-3H3,(H2,31,32,33);1H