N-hexadecyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H46N6O2 MolecularWeight: 462.67174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C25H46N6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-24-23(31(32)33)25(28-22-27-24)30-20-18-29(2)19-21-30/h22H,3-21H2,1-2H3,(H,26,27,28)