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

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC#N)N

InChI

InChI=1S/C17H15N5O2S2/c18-7-4-8-20-13(23)10-26-17-21-15-14(16(24)22(17)19)12(9-25-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,8,10,19H2,(H,20,23)