[(2R,3R,4S,5R)-5-[4,5-bis(chloranyl)-2-(2,2-dimethylpropanoylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoranyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R)-5-[4,5-bis(chloranyl)-2-(2,2-dimethylpropanoylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoranyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R)-3-benzoyloxy-5-[4,5-dichloro-2-(2,2-dimethylpropanoylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R)-3-benzoyloxy-5-[4,5-dichloro-2-[(2,2-dimethyl-1-oxopropyl)amino]-7-pyrrolo[2,3-d]pyrimidinyl]-4-fluoro-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-3-benzoyloxy-5-[4,5-dichloro-2-(2,2-dimethylpropanoylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluorooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R)-3-benzoyloxy-5-[4,5-dichloro-2-(pivaloylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-tetrahydrofuran-2-yl]methyl ester Formula: C30H27Cl2FN4O6 MolecularWeight: 629.462983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=CN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)F)Cl)C(=N1)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)F)Cl)C(=N1)Cl

InChI

InChI=1S/C30H27Cl2FN4O6/c1-30(2,3)28(40)36-29-34-23(32)20-18(31)14-37(24(20)35-29)25-21(33)22(43-27(39)17-12-8-5-9-13-17)19(42-25)15-41-26(38)16-10-6-4-7-11-16/h4-14,19,21-22,25H,15H2,1-3H3,(H,34,35,36,40)/t19-,21+,22-,25-/m1/s1