ethyl 6-bromanyl-2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: ethyl 6-bromo-2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 6-bromo-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 6-bromo-4-keto-2-(pivaloylamino)-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C14H17BrN4O4 MolecularWeight: 385.21318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=CC2=C1NC(=NC2=O)NC(=O)C(C)(C)C)Br

Isomeric SMILES

CCOC(=O)N1C(=CC2=C1NC(=NC2=O)NC(=O)C(C)(C)C)Br

InChI

InChI=1S/C14H17BrN4O4/c1-5-23-13(22)19-8(15)6-7-9(19)16-12(17-10(7)20)18-11(21)14(2,3)4/h6H,5H2,1-4H3,(H2,16,17,18,20,21)