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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H19N5O2S2/c1-13-14(2)27(15-4-6-16(29-3)7-5-15)20(18(13)10-23)26-19(28)11-31-22-17-8-9-30-21(17)24-12-25-22/h4-9,12H,11H2,1-3H3,(H,26,28)