N-(1-cyanocyclopentyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C21H20N4OS2/c1-14-4-6-15(7-5-14)16-10-27-19-18(16)20(24-13-23-19)28-11-17(26)25-21(12-22)8-2-3-9-21/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,25,26)