N2-(4-iodophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-iodophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-iodophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-iodophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-iodophenyl)-4-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-iodoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C18H16IN5O3 MolecularWeight: 477.25581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)I)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)I)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16IN5O3/c1-11-16(24(25)26)17(21-13-7-9-15(27-2)10-8-13)23-18(20-11)22-14-5-3-12(19)4-6-14/h3-10H,1-2H3,(H2,20,21,22,23)