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

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(4-methylpiperazin-1-yl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C18H25N7O2/c1-4-24(15-7-5-6-14(2)12-15)18-16(25(26)27)17(19-13-20-18)21-23-10-8-22(3)9-11-23/h5-7,12-13H,4,8-11H2,1-3H3,(H,19,20,21)