6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-methyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-methylpiperazino)-1H-pyrimidin-4-one Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N5OS2/c1-21-6-8-22(9-7-21)16-18-12(10-15(23)20-16)11-24-17-19-13-4-2-3-5-14(13)25-17/h2-5,10H,6-9,11H2,1H3,(H,18,20,23)