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

Systemtic Name: 5-(4-chlorophenyl)-6-(pyridin-4-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-(4-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-(pyridin-4-ylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-(pyridin-4-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-(4-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=NC=C4)Cl

InChI

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