3-ethyl-4-(pyrimidin-5-ylmethyl)thiolan-2-one

Systemtic Name: 3-ethyl-4-(pyrimidin-5-ylmethyl)thiolan-2-one Openeye Name: 3-ethyl-4-(pyrimidin-5-ylmethyl)tetrahydrothiophen-2-one CAS Name: 3-ethyl-4-(5-pyrimidinylmethyl)-2-thiolanone IUPAC Name: 3-ethyl-4-(pyrimidin-5-ylmethyl)thiolan-2-one Traditional Name: 3-ethyl-4-(5-pyrimidylmethyl)tetrahydrothiophen-2-one Formula: C11H14N2OS MolecularWeight: 222.30666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CSC1=O)CC2=CN=CN=C2

Isomeric SMILES

CCC1C(CSC1=O)CC2=CN=CN=C2

InChI

InChI=1S/C11H14N2OS/c1-2-10-9(6-15-11(10)14)3-8-4-12-7-13-5-8/h4-5,7,9-10H,2-3,6H2,1H3