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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C22H24N6O3S MolecularWeight: 452.52936

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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=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3S/c1-31-18-5-2-4-16(12-18)15-32-22-25-17(13-19(29)26-22)14-20(30)27-8-10-28(11-9-27)21-23-6-3-7-24-21/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,26,29)