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

Systemtic Name: [4-acetyloxy-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-oxolan-2-yl]methyl benzoate Openeye Name: [4-acetoxy-5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-acetyloxy-5-(4-amino-5-cyano-7-pyrrolo[2,3-d]pyrimidinyl)-3-methyl-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-acetoxy-5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-tetrahydrofuran-2-yl]methyl ester Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C1OC(=O)C)N2C=C(C3=C2N=CN=C3N)C#N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1C(OC(C1OC(=O)C)N2C=C(C3=C2N=CN=C3N)C#N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O5/c1-12-16(10-30-22(29)14-6-4-3-5-7-14)32-21(18(12)31-13(2)28)27-9-15(8-23)17-19(24)25-11-26-20(17)27/h3-7,9,11-12,16,18,21H,10H2,1-2H3,(H2,24,25,26)