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

Systemtic Name: 1-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-6-[(2-pyrimidinylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-phenyl-6-[(2-pyrimidylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC=CC=N4

InChI

InChI=1S/C16H12N6OS/c23-15-12-9-19-22(11-5-2-1-3-6-11)14(12)20-13(21-15)10-24-16-17-7-4-8-18-16/h1-9,19H,10H2