N2-(4-iodophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-iodophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-(4-iodophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine CAS Name: N2-(4-iodophenyl)-N4,6-dimethyl-5-nitro-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-(4-iodophenyl)-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-(4-iodoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C18H16IN5O2 MolecularWeight: 461.25641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)I)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)I)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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