N-(2-cyanoethyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC#N)SC(=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC#N)SC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O2S2/c1-2-11-24-19(26)15-12-16(14-7-4-3-5-8-14)28-18(15)23-20(24)27-13-17(25)22-10-6-9-21/h2-5,7-8,12H,1,6,10-11,13H2,(H,22,25)