1-(3,4-dimethylphenyl)-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(3,4-dimethylphenyl)-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(3,4-dimethylphenyl)-6-[(2-oxo-2-phenylmethoxyethyl)thio]-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(3,4-dimethylphenyl)-6-(2-oxo-2-phenylmethoxyethyl)sulfanylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-benzoxy-2-keto-ethyl)thio]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C22H19N4O3S- MolecularWeight: 419.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)OCC4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)OCC4=CC=CC=C4)[O-])C

InChI

InChI=1S/C22H20N4O3S/c1-14-8-9-17(10-15(14)2)26-20-18(11-23-26)21(28)25-22(24-20)30-13-19(27)29-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,25,28)/p-1