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

Systemtic Name: N4-butan-2-yl-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-iodophenyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C14H16IN5O2 MolecularWeight: 413.21361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

InChI

InChI=1S/C14H16IN5O2/c1-3-9(2)18-13-12(20(21)22)14(17-8-16-13)19-11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H2,16,17,18,19)