2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]-1H-pyrimidin-6-one Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSC2=NC=CC(=O)N2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C12H13N3O3S/c1-7-11(18)9(5-16)8(4-14-7)6-19-12-13-3-2-10(17)15-12/h2-4,16,18H,5-6H2,1H3,(H,13,15,17)