N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H16N4O3S2/c20-5-1-6-23(13-2-3-15-16(10-13)26-8-7-25-15)17(24)11-28-19-14-4-9-27-18(14)21-12-22-19/h2-4,9-10,12H,1,6-8,11H2