2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-cycloheptyl-acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-cycloheptylacetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-cycloheptylacetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-cycloheptyl-acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H26ClN3O2S/c1-14-18(12-19(26)24-17-9-4-2-3-5-10-17)20(27)25-21(23-14)28-13-15-7-6-8-16(22)11-15/h6-8,11,17H,2-5,9-10,12-13H2,1H3,(H,24,26)(H,23,25,27)