6-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[2-oxo-2-(1-piperidyl)ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-keto-2-piperidino-ethyl)-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-14-17(13-18(24)23-11-7-4-8-12-23)19(25)22-20(21-14)26-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,21,22,25)