N4-(3,4-dimethylphenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N6O2/c1-12-4-7-15(8-5-12)11-22-20-24-18(21)17(26(27)28)19(25-20)23-16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H4,21,22,23,24,25)