6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-18-22(24(31)27-25(26-18)32-19(2)20-9-5-3-6-10-20)17-23(30)29-15-13-28(14-16-29)21-11-7-4-8-12-21/h3-12,19H,13-17H2,1-2H3,(H,26,27,31)