[1-acetyloxy-3-[(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propan-2-yl] benzoate

Systemtic Name: [1-acetyloxy-3-[(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propan-2-yl] benzoate Openeye Name: [1-(acetoxymethyl)-2-[(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl] benzoate CAS Name: benzoic acid [1-acetyloxy-3-[[4-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]methoxy]propan-2-yl] ester IUPAC Name: [1-acetyloxy-3-[(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propan-2-yl] benzoate Traditional Name: benzoic acid [1-(acetoxymethyl)-2-[[4-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl] ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COCN1C2=C(C=N1)C(=NC=N2)SC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC(COCN1C2=C(C=N1)C(=NC=N2)SC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S/c1-13(24)27-10-15(28-19(25)14-6-4-3-5-7-14)9-26-12-23-17-16(8-22-23)18(29-2)21-11-20-17/h3-8,11,15H,9-10,12H2,1-2H3