N6-[(2-chlorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H13ClIN5O2 MolecularWeight: 481.67489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)Cl

InChI

InChI=1S/C17H13ClIN5O2/c18-14-4-2-1-3-11(14)9-20-16-15(24(25)26)17(22-10-21-16)23-13-7-5-12(19)6-8-13/h1-8,10H,9H2,(H2,20,21,22,23)