1-(4-chlorophenyl)-6-[(2R)-1-methoxy-1-oxidanylidene-butan-2-yl]sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(4-chlorophenyl)-6-[(2R)-1-methoxy-1-oxidanylidene-butan-2-yl]sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(4-chlorophenyl)-6-[(1R)-1-methoxycarbonylpropyl]sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(4-chlorophenyl)-6-[[(2R)-1-methoxy-1-oxobutan-2-yl]thio]-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(4-chlorophenyl)-6-[(2R)-1-methoxy-1-oxobutan-2-yl]sulfanylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[(1R)-1-carbomethoxypropyl]thio]-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C16H14ClN4O3S- MolecularWeight: 377.82536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=N1)[O-]

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=N1)[O-]

InChI

InChI=1S/C16H15ClN4O3S/c1-3-12(15(23)24-2)25-16-19-13-11(14(22)20-16)8-18-21(13)10-6-4-9(17)5-7-10/h4-8,12H,3H2,1-2H3,(H,19,20,22)/p-1/t12-/m1/s1