4-[[3-(hydroxymethyl)-2-methyl-5-oxidanyl-pyridin-4-yl]methylamino]-2H-thiophen-5-one

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-5-oxidanyl-pyridin-4-yl]methylamino]-2H-thiophen-5-one Openeye Name: 4-[[5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]-2H-thiophen-5-one CAS Name: 4-[[5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2H-thiophen-5-one IUPAC Name: 4-[[5-hydroxy-3-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-2H-thiophen-5-one Traditional Name: 4-[(5-hydroxy-2-methyl-3-methylol-4-pyridyl)methylamino]-2H-thiophen-5-one Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1CO)CNC2=CCSC2=O)O

Isomeric SMILES

CC1=NC=C(C(=C1CO)CNC2=CCSC2=O)O

InChI

InChI=1S/C12H14N2O3S/c1-7-9(6-15)8(11(16)5-13-7)4-14-10-2-3-18-12(10)17/h2,5,14-16H,3-4,6H2,1H3