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

Systemtic Name: 1-(4-chlorophenyl)-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(4-chlorophenyl)-6-[(2-oxo-2-phenylmethoxyethyl)thio]-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(4-chlorophenyl)-6-(2-oxo-2-phenylmethoxyethyl)sulfanylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-benzoxy-2-keto-ethyl)thio]-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C20H14ClN4O3S- MolecularWeight: 425.86816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C=NN3C4=CC=C(C=C4)Cl)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C=NN3C4=CC=C(C=C4)Cl)C(=N2)[O-]

InChI

InChI=1S/C20H15ClN4O3S/c21-14-6-8-15(9-7-14)25-18-16(10-22-25)19(27)24-20(23-18)29-12-17(26)28-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,23,24,27)/p-1