N6-(4-butoxyphenyl)-5-nitro-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C19H20N6O3 MolecularWeight: 380.4005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c1-2-3-12-28-15-9-7-14(8-10-15)23-18-17(25(26)27)19(22-13-21-18)24-16-6-4-5-11-20-16/h4-11,13H,2-3,12H2,1H3,(H2,20,21,22,23,24)