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

Systemtic Name: N6-(2-ethoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-ethoxyphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-ethoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-ethoxyphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-28-17-12-8-7-11-16(17)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)