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

Systemtic Name: (2S)-4-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-keto-butyronitrile Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C#N)C(=N)C)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S2/c1-8(2)21-16(23)14-9(3)11(5)25-15(14)20-17(21)24-7-13(22)12(6-18)10(4)19/h8,12,19H,7H2,1-5H3/t12-/m1/s1