N6-(3-methylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylphenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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