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

Systemtic Name: 2-methyl-N-(4-methylphenyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-(p-tolyl)pyrimidin-4-amine CAS Name: 2-methyl-N-(4-methylphenyl)-6-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-methyl-N-(4-methylphenyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: [2-methyl-6-(4-nosylpiperazino)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=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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