N-(3-chloranyl-4-cyano-phenyl)-2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)SC=C2C4CC4

InChI

InChI=1S/C21H17ClN4O2S2/c1-2-7-26-20(28)18-15(12-3-4-12)10-29-19(18)25-21(26)30-11-17(27)24-14-6-5-13(9-23)16(22)8-14/h2,5-6,8,10,12H,1,3-4,7,11H2,(H,24,27)