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

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]butanenitrile Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]butanenitrile CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]butanenitrile IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]butanenitrile Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]butyronitrile Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS2/c1-8-9(2)19-13-11(8)12(17)15-10(16-13)7-18-6-4-3-5-14/h3-4,6-7H2,1-2H3,(H,15,16,17)