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

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-ethyl-1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5OS2/c1-2-22-7-9-23(10-8-22)17-19-13(11-16(24)21-17)12-25-18-20-14-5-3-4-6-15(14)26-18/h3-6,11H,2,7-10,12H2,1H3,(H,19,21,24)/p+1