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

Systemtic Name: N6-hexadecyl-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H40IN5O2 MolecularWeight: 581.53257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)I

InChI

InChI=1S/C26H40IN5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-25-24(32(33)34)26(30-21-29-25)31-23-18-16-22(27)17-19-23/h16-19,21H,2-15,20H2,1H3,(H2,28,29,30,31)