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

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: ethyl 2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-2-(pivaloylamino)-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4/c1-5-22-13(21)18-7-6-8-9(18)15-12(16-10(8)19)17-11(20)14(2,3)4/h6-7H,5H2,1-4H3,(H2,15,16,17,19,20)