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

Systemtic Name: N4-(2,5-dimethylphenyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-N6-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-o-phenetyl-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)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-4-28-17-8-6-5-7-15(17)23-19-18(25(26)27)20(22-12-21-19)24-16-11-13(2)9-10-14(16)3/h5-12H,4H2,1-3H3,(H2,21,22,23,24)