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

Systemtic Name: O7-tert-butyl O5-methyl 2-azanyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Openeye Name: O7-tert-butyl O5-methyl 2-amino-3-benzyl-4-oxo-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate CAS Name: 2-amino-4-oxo-3-(phenylmethyl)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-3-benzyl-4-oxopyrrolo[2,3-d]pyrimidine-5,7-dicarboxylate Traditional Name: 2-amino-3-benzyl-4-keto-pyrrolo[2,3-d]pyrimidine-5,7-dicarboxylic acid O7-tert-butyl ester O5-methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1N=C(N(C2=O)CC3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=C(N(C2=O)CC3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C20H22N4O5/c1-20(2,3)29-19(27)23-11-13(17(26)28-4)14-15(23)22-18(21)24(16(14)25)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,21,22)