2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-6-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-methyl-4-(4-methylpiperazino)-6-[4-(3-nitrophenyl)sulfonylpiperazino]pyrimidine Formula: C20H27N7O4S MolecularWeight: 461.53788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C20H27N7O4S/c1-16-21-19(24-8-6-23(2)7-9-24)15-20(22-16)25-10-12-26(13-11-25)32(30,31)18-5-3-4-17(14-18)27(28)29/h3-5,14-15H,6-13H2,1-2H3