O7-tert-butyl O5-methyl 2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate

Systemtic Name: O7-tert-butyl O5-methyl 2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Openeye Name: O7-tert-butyl O5-methyl 2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate CAS Name: 2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylic acid O7-tert-butyl ester O5-methyl ester IUPAC Name: 7-O-tert-butyl 5-O-methyl 2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Traditional Name: 2-amino-4-keto-1H-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylic acid O7-tert-butyl ester O5-methyl ester Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1NC(=NC2=O)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1NC(=NC2=O)N)C(=O)OC

InChI

InChI=1S/C13H16N4O5/c1-13(2,3)22-12(20)17-5-6(10(19)21-4)7-8(17)15-11(14)16-9(7)18/h5H,1-4H3,(H3,14,15,16,18)