2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-keto-2-(4-methylpiperidino)ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25N3O3S/c1-14-6-8-23(9-7-14)19(25)12-16-11-18(24)22-20(21-16)27-13-15-4-3-5-17(10-15)26-2/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,21,22,24)