2-(2-azanyl-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)-2-chloranyl-ethanoic acid

Systemtic Name: 2-(2-azanyl-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)-2-chloranyl-ethanoic acid Openeye Name: 2-(2-amino-1-benzyloxy-3-benzyloxycarbonyl-2,6-dihydropurin-9-yl)-2-chloro-acetic acid CAS Name: 2-(2-amino-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)-2-chloroacetic acid IUPAC Name: 2-(2-amino-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)-2-chloroacetic acid Traditional Name: 2-(2-amino-1-benzoxy-3-carbobenzoxy-2,6-dihydropurin-9-yl)-2-chloro-acetic acid Formula: C22H22ClN5O5 MolecularWeight: 471.89358

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C=N2)C(C(=O)O)Cl)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(N(C=N2)C(C(=O)O)Cl)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O5/c23-18(20(29)30)26-14-25-17-11-27(33-13-16-9-5-2-6-10-16)21(24)28(19(17)26)22(31)32-12-15-7-3-1-4-8-15/h1-10,14,18,21H,11-13,24H2,(H,29,30)