6-[2-(cyanomethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide

Systemtic Name: 6-[2-(cyanomethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide Openeye Name: 6-[2-(cyanomethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide CAS Name: 6-[2-(cyanomethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylhexanamide IUPAC Name: 6-[2-(cyanomethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylhexanamide Traditional Name: 6-[2-(cyanomethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

InChI

InChI=1S/C22H24N4O2S2/c23-12-16-30-22-25-18-11-15-29-20(18)21(28)26(22)14-6-2-5-9-19(27)24-13-10-17-7-3-1-4-8-17/h1,3-4,7-8,11,15H,2,5-6,9-10,13-14,16H2,(H,24,27)