2-methyl-N-(4-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 2-methyl-N-(4-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-methyl-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(p-tolyl)pyrimidin-4-amine CAS Name: 2-methyl-N-(4-methylphenyl)-6-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-methyl-N-(4-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: [2-methyl-6-[4-(3-nitrophenyl)sulfonylpiperazino]pyrimidin-4-yl]-(p-tolyl)amine Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N6O4S/c1-16-6-8-18(9-7-16)25-21-15-22(24-17(2)23-21)26-10-12-27(13-11-26)33(31,32)20-5-3-4-19(14-20)28(29)30/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)