6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(diphenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(diphenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(diphenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-6-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrimidin-4-one Formula: C29H27N5OS2 MolecularWeight: 525.68758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5OS2/c35-26-19-23(20-36-29-31-24-13-7-8-14-25(24)37-29)30-28(32-26)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,27H,15-18,20H2,(H,30,32,35)