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

Systemtic Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H20N6O2/c1-13-7-9-15(10-8-13)12-22-19-23-17(20)16(25(26)27)18(24-19)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H4,20,21,22,23,24)