2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1H-pyrimidin-6-one Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=CC(=O)N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C16H18N2O3S/c1-3-4-13-11(5-6-12(10(2)19)15(13)21)9-22-16-17-8-7-14(20)18-16/h5-8,21H,3-4,9H2,1-2H3,(H,17,18,20)