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

Systemtic Name: 6,7-dimethoxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(p-tolylsulfonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [6,7-dimethoxy-2-(4-tosylpiperazino)quinazolin-4-yl]amine hydrochloride Formula: C21H26ClN5O4S MolecularWeight: 479.98024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl

InChI

InChI=1S/C21H25N5O4S.ClH/c1-14-4-6-15(7-5-14)31(27,28)26-10-8-25(9-11-26)21-23-17-13-19(30-3)18(29-2)12-16(17)20(22)24-21;/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24);1H