2-hexylsulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-(hexylthio)-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-(hexylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2OS/c1-2-3-4-8-11-20-16-17-14(12-15(19)18-16)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,17,18,19)