N4-cyclopentyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H45N5O2 MolecularWeight: 447.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2CCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2CCCC2

InChI

InChI=1S/C25H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-24-23(30(31)32)25(28-21-27-24)29-22-18-15-16-19-22/h21-22H,2-20H2,1H3,(H2,26,27,28,29)