N2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-1-yl)-N2-(m-tolyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methylphenyl)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazino)-5-nitro-pyrimidin-2-yl]-(m-tolyl)amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C

InChI

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