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

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C21H14ClN5O2S2 MolecularWeight: 467.95116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N)N

InChI

InChI=1S/C21H14ClN5O2S2/c22-14-7-6-13(9-23)16(8-14)25-17(28)11-31-21-26-19-18(20(29)27(21)24)15(10-30-19)12-4-2-1-3-5-12/h1-8,10H,11,24H2,(H,25,28)