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

Systemtic Name: O7-tert-butyl O5-methyl 2-azanyl-3-methyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Openeye Name: O7-tert-butyl O5-methyl 2-amino-3-methyl-4-oxo-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate CAS Name: 2-amino-3-methyl-4-oxopyrrolo[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-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Traditional Name: 2-amino-4-keto-3-methyl-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylic acid O7-tert-butyl ester O5-methyl ester Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1N=C(N(C2=O)C)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=C(N(C2=O)C)N)C(=O)OC

InChI

InChI=1S/C14H18N4O5/c1-14(2,3)23-13(21)18-6-7(11(20)22-5)8-9(18)16-12(15)17(4)10(8)19/h6H,1-5H3,(H2,15,16)