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

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-(2-pyrimidinylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-(2-pyrimidylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C17H17N3O3S/c21-15(11-24-16-18-8-3-9-19-16)20-12-4-5-13-14(10-12)23-17(22-13)6-1-2-7-17/h3-5,8-10H,1-2,6-7,11H2,(H,20,21)