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triethyl-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl]azanium bromide

triethyl-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl]azanium bromide

Systemtic Name:triethyl-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl]azanium bromide
Openeye Name:triethyl-[3-(4-oxo-5-tetradecyl-2-thioxo-1H-pyrimidin-6-yl)propyl]ammonium bromide
CAS Name:triethyl-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl]ammonium bromide
IUPAC Name:triethyl-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl]azanium bromide
Traditional Name:triethyl-[3-(4-keto-5-myristyl-2-thioxo-1H-pyrimidin-6-yl)propyl]ammonium bromide
Formula: C27H52BrN3OS
MolecularWeight: 546.69028
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCC[N+](CC)(CC)CC.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCC[N+](CC)(CC)CC.[Br-]


InChI

InChI=1S/C27H51N3OS.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-24-25(28-27(32)29-26(24)31)22-20-23-30(6-2,7-3)8-4;/h5-23H2,1-4H3,(H-,28,29,31,32);1H


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