N4-(5-chloranyl-2-methoxy-phenyl)-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methoxy-phenyl)-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methoxy-phenyl)-N6-(6-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methoxyphenyl)-N6-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methoxyphenyl)-6-N-(6-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H15ClN6O3/c1-10-4-3-5-14(21-10)23-17-15(24(25)26)16(19-9-20-17)22-12-8-11(18)6-7-13(12)27-2/h3-9H,1-2H3,(H2,19,20,21,22,23)