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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-[2-keto-2-(4-phenylpiperazino)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2S/c1-17-21(23(31)27-24(26-17)32-16-18-6-5-7-19(25)14-18)15-22(30)29-12-10-28(11-13-29)20-8-3-2-4-9-20/h2-9,14H,10-13,15-16H2,1H3,(H,26,27,31)