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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C20H19N3O3S2/c24-17(11-28-19-14-6-9-27-18(14)21-12-22-19)23-13-4-5-15-16(10-13)26-20(25-15)7-2-1-3-8-20/h4-6,9-10,12H,1-3,7-8,11H2,(H,23,24)