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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-methylpiperidino)ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H27N3O3S/c1-14-7-9-24(10-8-14)19(25)12-18-15(2)22-21(23-20(18)26)28-13-16-5-4-6-17(11-16)27-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,22,23,26)