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

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-benzylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-benzylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-benzylpiperazino)-1H-pyrimidin-4-one Formula: C23H23N5OS2 MolecularWeight: 449.59162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N5OS2/c29-21-14-18(16-30-23-25-19-8-4-5-9-20(19)31-23)24-22(26-21)28-12-10-27(11-13-28)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,24,26,29)