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

Systemtic Name: 6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [2-[4-(4-mesylphenyl)sulfonylpiperazino]-6,7-dimethoxy-quinazolin-4-yl]amine hydrochloride Formula: C21H26ClN5O6S2 MolecularWeight: 544.04404

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

InChI

InChI=1S/C21H25N5O6S2.ClH/c1-31-18-12-16-17(13-19(18)32-2)23-21(24-20(16)22)25-8-10-26(11-9-25)34(29,30)15-6-4-14(5-7-15)33(3,27)28;/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24);1H