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

Systemtic Name: 6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [2-[4-[4-(4-mesylphenyl)phenyl]sulfonylpiperazino]-6,7-dimethoxy-quinazolin-4-yl]amine hydrochloride Formula: C27H30ClN5O6S2 MolecularWeight: 620.14

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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=C(C=C5)S(=O)(=O)C)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=C(C=C5)S(=O)(=O)C)N)OC.Cl

InChI

InChI=1S/C27H29N5O6S2.ClH/c1-37-24-16-22-23(17-25(24)38-2)29-27(30-26(22)28)31-12-14-32(15-13-31)40(35,36)21-10-6-19(7-11-21)18-4-8-20(9-5-18)39(3,33)34;/h4-11,16-17H,12-15H2,1-3H3,(H2,28,29,30);1H