2-[6-oxidanylidene-2-(phenylmethoxycarbonylamino)-3H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-2-(phenylmethoxycarbonylamino)-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[6-oxo-2-(phenylmethoxycarbonylamino)-3H-purin-9-yl]acetic acid IUPAC Name: 2-[6-oxo-2-(phenylmethoxycarbonylamino)-3H-purin-9-yl]acetic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)-6-keto-3H-purin-9-yl]acetic acid Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O

InChI

InChI=1S/C15H13N5O5/c21-10(22)6-20-8-16-11-12(20)17-14(18-13(11)23)19-15(24)25-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,21,22)(H2,17,18,19,23,24)