1-(5-iodanyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propan-1-one

Systemtic Name: 1-(5-iodanyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propan-1-one Openeye Name: 1-(5-iodo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propan-1-one CAS Name: 1-(5-iodo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-1-propanone IUPAC Name: 1-(5-iodo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropan-1-one Traditional Name: 1-(5-iodo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propan-1-one Formula: C12H14IN3O2 MolecularWeight: 359.16293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=NC2=C(C(=CN2)I)C(=N1)OC

Isomeric SMILES

CC(C)(C)C(=O)C1=NC2=C(C(=CN2)I)C(=N1)OC

InChI

InChI=1S/C12H14IN3O2/c1-12(2,3)8(17)10-15-9-7(6(13)5-14-9)11(16-10)18-4/h5H,1-4H3,(H,14,15,16)