6-methyl-5-(3-oxidanylidene-3-piperidin-1-yl-propyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-oxidanylidene-3-piperidin-1-yl-propyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-(1-piperidyl)propyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-oxo-3-(1-piperidinyl)propyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(3-keto-3-piperidino-propyl)-6-methyl-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)SCC2=CC=CC=C2)CCC(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-15-17(10-11-18(24)23-12-6-3-7-13-23)19(25)22-20(21-15)26-14-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,22,25)