5-(2-hydroxyethyl)-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCO

InChI

InChI=1S/C14H16N2O2S/c1-10-12(7-8-17)13(18)16-14(15-10)19-9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16,18)