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

Systemtic Name: 1,3-dimethyl-6-(2-propylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1,3-dimethyl-6-(2-propylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,3-dimethyl-6-[2-(propylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1,3-dimethyl-6-(2-propylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1,3-dimethyl-6-[2-(propylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCSC1=CC=CC=C1C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C16H18N4OS/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8,19H,4,9H2,1-3H3