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

Systemtic Name: N4-methyl-N6-[(4-methylphenyl)methyl]-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-[(4-methylphenyl)methyl]-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]-(1-methyl-4-piperidyl)amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O2/c1-14-4-6-15(7-5-14)12-20-18-17(25(26)27)19(22-13-21-18)24(3)16-8-10-23(2)11-9-16/h4-7,13,16H,8-12H2,1-3H3,(H,20,21,22)