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

Systemtic Name: N6-ethyl-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N4-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-4-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H12IN5O2 MolecularWeight: 385.16045

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

InChI

InChI=1S/C12H12IN5O2/c1-2-14-11-10(18(19)20)12(16-7-15-11)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16,17)