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

Systemtic Name: N4-(4-methylphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-5-nitro-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N4-(4-methylphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(benzylamino)-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

InChI

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