2-chloranyl-2-(1-phenylmethoxy-8-phenylmethoxycarbonyl-6H-purin-9-yl)ethanoic acid

Systemtic Name: 2-chloranyl-2-(1-phenylmethoxy-8-phenylmethoxycarbonyl-6H-purin-9-yl)ethanoic acid Openeye Name: 2-(1-benzyloxy-8-benzyloxycarbonyl-6H-purin-9-yl)-2-chloro-acetic acid CAS Name: 2-chloro-2-(1-phenylmethoxy-8-phenylmethoxycarbonyl-6H-purin-9-yl)acetic acid IUPAC Name: 2-chloro-2-(1-phenylmethoxy-8-phenylmethoxycarbonyl-6H-purin-9-yl)acetic acid Traditional Name: 2-(1-benzoxy-8-carbobenzoxy-6H-purin-9-yl)-2-chloro-acetic acid Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN1OCC3=CC=CC=C3)N(C(=N2)C(=O)OCC4=CC=CC=C4)C(C(=O)O)Cl

Isomeric SMILES

C1C2=C(N=CN1OCC3=CC=CC=C3)N(C(=N2)C(=O)OCC4=CC=CC=C4)C(C(=O)O)Cl

InChI

InChI=1S/C22H19ClN4O5/c23-18(21(28)29)27-19-17(11-26(14-24-19)32-13-16-9-5-2-6-10-16)25-20(27)22(30)31-12-15-7-3-1-4-8-15/h1-10,14,18H,11-13H2,(H,28,29)