2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H26N6O3S/c1-16-19(14-20(30)28-9-11-29(12-10-28)22-24-7-4-8-25-22)21(31)27-23(26-16)33-15-17-5-3-6-18(13-17)32-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27,31)