2-[4-(diphenylmethyl)piperazin-1-yl]-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-6-[(2-pyrimidinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-6-[(2-pyrimidylthio)methyl]-1H-pyrimidin-4-one Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N6OS/c33-23-18-22(19-34-26-27-12-7-13-28-26)29-25(30-23)32-16-14-31(15-17-32)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24H,14-17,19H2,(H,29,30,33)