N2-(4-methylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-(4-methylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-5-nitro-N2-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N2-(4-methylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(p-tolyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H18N6O2/c1-12-7-9-14(10-8-12)21-18-22-16(19)15(24(25)26)17(23-18)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H4,19,20,21,22,23)