2-[2-acetamido-6-(diphenylcarbamoyloxy)-7H-purin-8-yl]ethanoic acid

Systemtic Name: 2-[2-acetamido-6-(diphenylcarbamoyloxy)-7H-purin-8-yl]ethanoic acid Openeye Name: 2-[2-acetamido-6-(diphenylcarbamoyloxy)-7H-purin-8-yl]acetic acid CAS Name: 2-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-7H-purin-8-yl]acetic acid IUPAC Name: 2-[2-acetamido-6-(diphenylcarbamoyloxy)-7H-purin-8-yl]acetic acid Traditional Name: 2-[2-acetamido-6-(diphenylcarbamoyloxy)-7H-purin-8-yl]acetic acid Formula: C22H18N6O5 MolecularWeight: 446.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=N2)CC(=O)O

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=N2)CC(=O)O

InChI

InChI=1S/C22H18N6O5/c1-13(29)23-21-26-19-18(24-16(25-19)12-17(30)31)20(27-21)33-22(32)28(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,30,31)(H2,23,24,25,26,27,29)