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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N5O3S/c1-31-19-6-4-5-17(13-19)16-32-23-25-18(14-21(29)26-23)15-22(30)28-11-9-27(10-12-28)20-7-2-3-8-24-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,26,29)