N-hexadecyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C32H51N5O2 MolecularWeight: 537.77964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C32H51N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33-31-30(37(38)39)32(35-27-34-31)36-24-21-29(22-25-36)26-28-19-16-15-17-20-28/h15-17,19-20,27,29H,2-14,18,21-26H2,1H3,(H,33,34,35)