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

Systemtic Name: N4-(2-ethoxyphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethoxyphenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethoxyphenyl)-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethoxyphenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-o-phenetyl-amine Formula: C18H16IN5O3 MolecularWeight: 477.25581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

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