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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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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=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-32-21-7-3-5-18(13-21)17-34-25-26-19(14-23(30)27-25)15-24(31)29-11-9-28(10-12-29)20-6-4-8-22(16-20)33-2/h3-8,13-14,16H,9-12,15,17H2,1-2H3,(H,26,27,30)