[(2R,3R,4R,5R)-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-(4-amino-5-cyano-7-pyrrolo[2,3-d]pyrimidinyl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H25N5O7 MolecularWeight: 603.5809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C4=C3N=CN=C4N)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C3N=CN=C4N)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H25N5O7/c34-16-23-17-38(29-25(23)28(35)36-19-37-29)30-27(45-33(41)22-14-8-3-9-15-22)26(44-32(40)21-12-6-2-7-13-21)24(43-30)18-42-31(39)20-10-4-1-5-11-20/h1-15,17,19,24,26-27,30H,18H2,(H2,35,36,37)/t24-,26-,27-,30-/m1/s1