3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C21H25N3O3S/c1-13-16(14(2)23-20(22-13)28-3)7-9-19(25)24-15-6-8-17-18(12-15)27-21(26-17)10-4-5-11-21/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,24,25)