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

Systemtic Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N4-phenyl-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-phenylpyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (4-amino-6-anilino-5-nitro-pyrimidin-2-yl)-(4-methylbenzyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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