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

Systemtic Name: (2S)-4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]butyronitrile Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C15H16N4O2S2/c1-7-9(3)23-15-13(7)14(21)18-12(19-15)6-22-5-11(20)10(4-16)8(2)17/h10,17H,5-6H2,1-3H3,(H,18,19,21)/t10-/m1/s1