N6-(4-ethoxyphenyl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethoxyphenyl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-phenetidino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3/c1-2-26-14-7-5-12(6-8-14)21-16-15(23(24)25)17(20-11-19-16)22-13-4-3-9-18-10-13/h3-11H,2H2,1H3,(H2,19,20,21,22)