3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanenitrile

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanenitrile Openeye Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanenitrile CAS Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanenitrile IUPAC Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanenitrile Traditional Name: 3-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionitrile Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCCC#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCCC#N)C

InChI

InChI=1S/C12H13N3OS2/c1-7-8(2)18-12-10(7)11(16)14-9(15-12)6-17-5-3-4-13/h3,5-6H2,1-2H3,(H,14,15,16)