5-(4-chlorophenyl)-6-(pyridin-1-ium-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-6-(pyridin-1-ium-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-(pyridin-1-ium-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-(2-pyridin-1-iumylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-(pyridin-1-ium-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-(pyridin-1-ium-2-ylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H13ClN5OS+ MolecularWeight: 370.83602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN5OS/c18-11-4-6-13(7-5-11)23-16(24)14-9-20-22-15(14)21-17(23)25-10-12-3-1-2-8-19-12/h1-9H,10H2,(H,20,22)/p+1