N4-(4-ethylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-ethylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethylphenyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-ethylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethylphenyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-3-15-8-10-17(11-9-15)24-20-18(25(26)27)19(22-13-23-20)21-12-16-6-4-14(2)5-7-16/h4-11,13H,3,12H2,1-2H3,(H2,21,22,23,24)