6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride

Systemtic Name: 6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [6,7-dimethoxy-2-[4-(3-nitrophenyl)sulfonylpiperazino]quinazolin-4-yl]amine hydrochloride Formula: C20H23ClN6O6S MolecularWeight: 510.95122

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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=CC(=C4)[N+](=O)[O-])N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N)OC.Cl

InChI

InChI=1S/C20H22N6O6S.ClH/c1-31-17-11-15-16(12-18(17)32-2)22-20(23-19(15)21)24-6-8-25(9-7-24)33(29,30)14-5-3-4-13(10-14)26(27)28;/h3-5,10-12H,6-9H2,1-2H3,(H2,21,22,23);1H