N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c22-13-21(9-5-2-6-10-21)25-18(26)12-27-19-16-11-17(15-7-3-1-4-8-15)28-20(16)24-14-23-19/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,25,26)