N4-(5-methylpyridin-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methylpyridin-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-methyl-2-pyridyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-2-pyridinyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methylpyridin-2-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (5-methyl-2-pyridyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C22H18N6O3 MolecularWeight: 414.41672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O3/c1-15-7-12-19(23-13-15)27-22-20(28(29)30)21(24-14-25-22)26-16-8-10-18(11-9-16)31-17-5-3-2-4-6-17/h2-14H,1H3,(H2,23,24,25,26,27)