4-oxidanyl-2-(phenylmethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one

Systemtic Name: 4-oxidanyl-2-(phenylmethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-isopropyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-(phenylmethylthio)-5-propan-2-yl-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-isopropyl-1H-pyrimidin-6-one Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C14H16N2O2S/c1-9(2)11-12(17)15-14(16-13(11)18)19-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18)