2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(1-piperidyl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-(2-keto-2-piperidino-ethyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCCCC3

InChI

InChI=1S/C19H22ClN3O2S/c1-13-16(11-17(24)23-8-3-2-4-9-23)18(25)22-19(21-13)26-12-14-6-5-7-15(20)10-14/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,21,22,25)