5-hexadecyl-3,6-dimethyl-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 5-hexadecyl-3,6-dimethyl-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 5-hexadecyl-3,6-dimethyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 5-hexadecyl-3,6-dimethyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 5-hexadecyl-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 5-cetyl-3,6-dimethyl-2-(methylthio)pyrimidin-4-one Formula: C23H42N2OS MolecularWeight: 394.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(N=C(N(C1=O)C)SC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(N=C(N(C1=O)C)SC)C

InChI

InChI=1S/C23H42N2OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)24-23(27-4)25(3)22(21)26/h5-19H2,1-4H3