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

Systemtic Name: 6-[2-(cyanomethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide Openeye Name: 6-[2-(cyanomethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide CAS Name: 6-[2-(cyanomethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-(4-methoxyphenyl)hexanamide IUPAC Name: 6-[2-(cyanomethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide Traditional Name: 6-[2-(cyanomethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C=CS3)N=C2SCC#N

InChI

InChI=1S/C21H22N4O3S2/c1-28-16-8-6-15(7-9-16)23-18(26)5-3-2-4-12-25-20(27)19-17(10-13-29-19)24-21(25)30-14-11-22/h6-10,13H,2-5,12,14H2,1H3,(H,23,26)