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

Systemtic Name: 1-(4-chlorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-(1-naphthylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-(1-naphthalenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-chlorophenyl)-6-(1-naphthylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H15ClN4OS MolecularWeight: 418.8987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H15ClN4OS/c23-16-8-10-17(11-9-16)27-20-19(12-24-27)21(28)26-22(25-20)29-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-12,24H,13H2