[5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[4-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-[4-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C32H26N4O7S MolecularWeight: 610.63644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1C=NN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC=NC2=C1C=NN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O7S/c1-44-28-23-17-35-36(27(23)33-19-34-28)29-26(43-32(39)22-15-9-4-10-16-22)25(42-31(38)21-13-7-3-8-14-21)24(41-29)18-40-30(37)20-11-5-2-6-12-20/h2-17,19,24-26,29H,18H2,1H3