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

Systemtic Name: N6-[(4-methylphenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-13-3-5-14(6-4-13)11-18-16-15(24(25)26)17(20-12-19-16)21-23-9-7-22(2)8-10-23/h3-6,12H,7-11H2,1-2H3,(H2,18,19,20,21)