1-phenyl-6-(pyridin-1-ium-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-phenyl-6-(pyridin-1-ium-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-phenyl-6-(pyridin-1-ium-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-6-[(2-pyridin-1-iumylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-phenyl-6-(pyridin-1-ium-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-phenyl-6-[(pyridin-1-ium-2-ylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H14N5OS+ MolecularWeight: 336.39096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=CC=CC=[NH+]4

InChI

InChI=1S/C17H13N5OS/c23-17-13-10-19-22(12-6-2-1-3-7-12)16(13)20-14(21-17)11-24-15-8-4-5-9-18-15/h1-10,19H,11H2/p+1