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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CO4)C

InChI

InChI=1S/C20H17N5O2S2/c1-12-13(2)25(9-14-4-3-6-27-14)18(16(12)8-21)24-17(26)10-29-20-15-5-7-28-19(15)22-11-23-20/h3-7,11H,9-10H2,1-2H3,(H,24,26)