[4-acetyloxy-5-(4-azanyl-6-bromanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [4-acetyloxy-5-(4-azanyl-6-bromanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-oxolan-2-yl]methyl benzoate Openeye Name: [4-acetoxy-5-(4-amino-6-bromo-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-6-bromo-5-cyano-7-pyrrolo[2,3-d]pyrimidinyl)-3-methyl-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-5-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-acetoxy-5-(4-amino-6-bromo-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-tetrahydrofuran-2-yl]methyl ester Formula: C22H20BrN5O5 MolecularWeight: 514.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C1OC(=O)C)N2C3=C(C(=C2Br)C#N)C(=NC=N3)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1C(OC(C1OC(=O)C)N2C3=C(C(=C2Br)C#N)C(=NC=N3)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN5O5/c1-11-15(9-31-22(30)13-6-4-3-5-7-13)33-21(17(11)32-12(2)29)28-18(23)14(8-24)16-19(25)26-10-27-20(16)28/h3-7,10-11,15,17,21H,9H2,1-2H3,(H2,25,26,27)