6-ethyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-(3-pyridinylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-(3-pyridylmethylthio)-1H-pyrimidin-4-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CN=CC=C2

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CN=CC=C2

InChI

InChI=1S/C12H13N3OS/c1-2-10-6-11(16)15-12(14-10)17-8-9-4-3-5-13-7-9/h3-7H,2,8H2,1H3,(H,14,15,16)