N-hexadecyl-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-hexadecyl-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-hexadecyl-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: cetyl-(5-nitro-6-piperidino-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-])N2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C25H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-26-24-23(30(31)32)25(28-22-27-24)29-20-17-15-18-21-29/h22H,2-21H2,1H3,(H,26,27,28)