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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C30H47FN6O2 MolecularWeight: 542.731583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47FN6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-29-28(37(38)39)30(34-25-33-29)36-23-21-35(22-24-36)27-18-16-26(31)17-19-27/h16-19,25H,2-15,20-24H2,1H3,(H,32,33,34)