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

Systemtic Name: 6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1H-pyrimidin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c28-20-14-18(24-22(25-20)30-16-17-6-2-1-3-7-17)15-21(29)27-12-10-26(11-13-27)19-8-4-5-9-23-19/h1-9,14H,10-13,15-16H2,(H,24,25,28)