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

Systemtic Name: N-hexadecyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C31H50N6O2 MolecularWeight: 538.7677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C31H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-32-30-29(37(38)39)31(34-27-33-30)36-24-22-35(23-25-36)26-28-19-16-15-17-20-28/h15-17,19-20,27H,2-14,18,21-26H2,1H3,(H,32,33,34)