[5-(3-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(3-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(3-carbamoyl-6-methylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[3-carbamoyl-6-(methylthio)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(3-carbamoyl-6-methylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-[3-carbamoyl-4-keto-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C33H27N5O9S MolecularWeight: 669.66058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(NN(C2=N1)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CSC1=NC(=O)C2=C(NN(C2=N1)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C33H27N5O9S/c1-48-33-35-27-22(28(40)36-33)23(26(34)39)37-38(27)29-25(47-32(43)20-15-9-4-10-16-20)24(46-31(42)19-13-7-3-8-14-19)21(45-29)17-44-30(41)18-11-5-2-6-12-18/h2-16,21,24-25,29,37H,17H2,1H3,(H2,34,39)