N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C19H17N3O3S2/c23-16(10-27-18-13-5-8-26-17(13)20-11-21-18)22-12-3-4-14-15(9-12)25-19(24-14)6-1-2-7-19/h3-5,8-9,11H,1-2,6-7,10H2,(H,22,23)