N4-(2,4-dimethoxyphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,4-dimethoxyphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C18H16IN5O4 MolecularWeight: 493.25521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)OC

InChI

InChI=1S/C18H16IN5O4/c1-27-13-7-8-14(15(9-13)28-2)23-18-16(24(25)26)17(20-10-21-18)22-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,20,21,22,23)