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

Systemtic Name: N4-(4-iodophenyl)-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-iodophenyl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-iodophenyl)-N6-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-iodophenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H14IN5O2 MolecularWeight: 447.22983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C17H14IN5O2/c1-11-2-6-13(7-3-11)21-16-15(23(24)25)17(20-10-19-16)22-14-8-4-12(18)5-9-14/h2-10H,1H3,(H2,19,20,21,22)