N6-(4-methylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-methylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methylphenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methylphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O2/c1-12-3-5-13(6-4-12)19-15-14(23(24)25)16(18-11-17-15)20-22-9-7-21(2)8-10-22/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19,20)