N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(2-oxolanylmethyl)-2-pyrrolyl]-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-2-yl]-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2SC=C3)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2SC=C3)CC4CCCO4)C

InChI

InChI=1S/C20H21N5O2S2/c1-12-13(2)25(9-14-4-3-6-27-14)19(15(12)8-21)24-17(26)10-29-20-18-16(5-7-28-18)22-11-23-20/h5,7,11,14H,3-4,6,9-10H2,1-2H3,(H,24,26)