5-methyl-4-oxidanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-methyl-4-oxidanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-methyl-2-(phenacylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-methyl-2-(phenacylthio)-1H-pyrimidin-6-one Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H12N2O3S/c1-8-11(17)14-13(15-12(8)18)19-7-10(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,17,18)