N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC4CCCC(C3)C4=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC4CCCC(C3)C4=O)C

InChI

InChI=1S/C22H25N3O2S/c1-13-10-14(2)24-22(23-13)28-19-8-6-18(7-9-19)25-21(27)17-11-15-4-3-5-16(12-17)20(15)26/h6-10,15-17H,3-5,11-12H2,1-2H3,(H,25,27)