N4-(3-chloranyl-4-methyl-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-methyl-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methyl-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methylphenyl)-N6-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methylphenyl)-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C18H16ClN5O3 MolecularWeight: 385.80434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O3/c1-11-6-7-13(9-15(11)19)23-18-16(24(25)26)17(20-10-21-18)22-12-4-3-5-14(8-12)27-2/h3-10H,1-2H3,(H2,20,21,22,23)