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

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-2-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-6-(2-pyridylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(phenylmethyl)-6-(2-pyridinylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-6-(pyridin-2-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-6-(2-pyridylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=N4

InChI

InChI=1S/C18H15N5OS/c24-17-15-10-20-23(11-13-6-2-1-3-7-13)16(15)21-18(22-17)25-12-14-8-4-5-9-19-14/h1-10,20H,11-12H2