N-(1-cyanocyclopentyl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(2-methyl-6-phenyl-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=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C21H20N4OS2/c1-14-23-19(27-12-18(26)25-21(13-22)9-5-6-10-21)16-11-17(28-20(16)24-14)15-7-3-2-4-8-15/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,25,26)