5-(2-hydroxyethylsulfanyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(2-hydroxyethylsulfanyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-4-hydroxy-5-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(2-hydroxyethylthio)-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-4-hydroxy-5-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-benzyl-4-hydroxy-5-(2-hydroxyethylthio)-1H-pyrimidin-6-one Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)SCCO)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)SCCO)O

InChI

InChI=1S/C13H14N2O3S/c16-6-7-19-11-12(17)14-10(15-13(11)18)8-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H2,14,15,17,18)