2-(6-phenylmethoxy-3-phenylmethoxycarbonyl-2H-purin-9-yl)ethanoic acid

Systemtic Name: 2-(6-phenylmethoxy-3-phenylmethoxycarbonyl-2H-purin-9-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-3-benzyloxycarbonyl-2H-purin-9-yl)acetic acid CAS Name: 2-(6-phenylmethoxy-3-phenylmethoxycarbonyl-2H-purin-9-yl)acetic acid IUPAC Name: 2-(6-phenylmethoxy-3-phenylmethoxycarbonyl-2H-purin-9-yl)acetic acid Traditional Name: 2-(6-benzoxy-3-carbobenzoxy-2H-purin-9-yl)acetic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(C2=C(N1C(=O)OCC3=CC=CC=C3)N(C=N2)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1N=C(C2=C(N1C(=O)OCC3=CC=CC=C3)N(C=N2)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5/c27-18(28)11-25-14-23-19-20(30-12-16-7-3-1-4-8-16)24-15-26(21(19)25)22(29)31-13-17-9-5-2-6-10-17/h1-10,14H,11-13,15H2,(H,27,28)