N6-hexadecyl-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C26H43N5O2S MolecularWeight: 489.71692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

InChI

InChI=1S/C26H43N5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-25-24(31(32)33)26(30-22-29-25)28-20-18-23-17-16-21-34-23/h16-17,21-22H,2-15,18-20H2,1H3,(H2,27,28,29,30)