(3-iodanyl-6-methyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (3-iodanyl-6-methyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate Openeye Name: (3-iodo-6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (3-iodo-6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl ester IUPAC Name: (3-iodo-6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-iodo-4-keto-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl ester Formula: C13H16IN3O3 MolecularWeight: 389.18891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=CN(C2=O)I)COC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1)N=CN(C2=O)I)COC(=O)C(C)(C)C

InChI

InChI=1S/C13H16IN3O3/c1-7-8(5-20-12(19)13(2,3)4)9-10(16-7)15-6-17(14)11(9)18/h6,16H,5H2,1-4H3