6-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

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