[5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-4-(phenylcarbonyloxy)-2-[1-(phenylcarbonyloxy)prop-2-ynyl]oxolan-3-yl] benzoate

Systemtic Name: [5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-4-(phenylcarbonyloxy)-2-[1-(phenylcarbonyloxy)prop-2-ynyl]oxolan-3-yl] benzoate Openeye Name: [5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-4-benzoyloxy-2-(1-benzoyloxyprop-2-ynyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(4-amino-5-cyano-7-pyrrolo[2,3-d]pyrimidinyl)-4-benzoyloxy-2-(1-benzoyloxyprop-2-ynyl)-3-oxolanyl] ester IUPAC Name: [5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-benzoyloxy-2-(1-benzoyloxyprop-2-ynyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-4-benzoyloxy-2-(1-benzoyloxyprop-2-ynyl)tetrahydrofuran-3-yl] ester Formula: C35H25N5O7 MolecularWeight: 627.6023

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1C(C(C(O1)N2C=C(C3=C2N=CN=C3N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C#CC(C1C(C(C(O1)N2C=C(C3=C2N=CN=C3N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H25N5O7/c1-2-25(44-33(41)21-12-6-3-7-13-21)27-28(46-34(42)22-14-8-4-9-15-22)29(47-35(43)23-16-10-5-11-17-23)32(45-27)40-19-24(18-36)26-30(37)38-20-39-31(26)40/h1,3-17,19-20,25,27-29,32H,(H2,37,38,39)