N6-(2-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-ethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-ethylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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