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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-keto-2-[4-(2-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=C4OC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

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