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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-32-22-9-5-8-20(14-22)18-33-25-26-21(15-23(30)27-25)16-24(31)29-12-10-28(11-13-29)17-19-6-3-2-4-7-19/h2-9,14-15H,10-13,16-18H2,1H3,(H,26,27,30)