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

Systemtic Name: [4-acetyloxy-5-(4-azanyl-6-bromanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(4-amino-6-bromo-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(4-amino-6-bromo-5-cyano-7-pyrrolo[2,3-d]pyrimidinyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-2-methyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(4-amino-6-bromo-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C16H16BrN5O5 MolecularWeight: 438.23274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C3=C(C(=C2Br)C#N)C(=NC=N3)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1C(C(C(O1)N2C3=C(C(=C2Br)C#N)C(=NC=N3)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H16BrN5O5/c1-6-11(26-7(2)23)12(27-8(3)24)16(25-6)22-13(17)9(4-18)10-14(19)20-5-21-15(10)22/h5-6,11-12,16H,1-3H3,(H2,19,20,21)