4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-(cyanomethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-(cyanomethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-(cyanomethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-(cyanomethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

InChI

InChI=1S/C20H20N4O2S2/c21-10-14-28-20-23-16-9-13-27-18(16)19(26)24(20)12-4-7-17(25)22-11-8-15-5-2-1-3-6-15/h1-3,5-6,9,13H,4,7-8,11-12,14H2,(H,22,25)