N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(C)(C#N)C3CC3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N[C@](C)(C#N)C3CC3)CC=C)C

InChI

InChI=1S/C19H22N4O2S2/c1-5-8-23-17(25)15-11(2)12(3)27-16(15)21-18(23)26-9-14(24)22-19(4,10-20)13-6-7-13/h5,13H,1,6-9H2,2-4H3,(H,22,24)/t19-/m1/s1