6-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-2-(benzylthio)-1H-pyrimidin-4-one Formula: C30H30N4O2S MolecularWeight: 510.6498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC(=O)N=C(N4)SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC(=O)N=C(N4)SCC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2S/c35-27-20-26(31-30(32-27)37-22-23-10-4-1-5-11-23)21-28(36)33-16-18-34(19-17-33)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20,29H,16-19,21-22H2,(H,31,32,35)