N-(2-cyanoethyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-propionamide Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C25H28N4O2S2/c1-16-17(2)32-22-21(16)24(31)29(20-12-7-8-13-20)25(27-22)33-18(3)23(30)28(15-9-14-26)19-10-5-4-6-11-19/h4-6,10-11,18,20H,7-9,12-13,15H2,1-3H3