N4-(2,3-dimethylphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dimethylphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dimethylphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dimethylphenyl)-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C18H16IN5O2 MolecularWeight: 461.25641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16IN5O2/c1-11-4-3-5-15(12(11)2)23-18-16(24(25)26)17(20-10-21-18)22-14-8-6-13(19)7-9-14/h3-10H,1-2H3,(H2,20,21,22,23)