2-[2,6-bis(azanyl)-8-phenylmethoxycarbonyl-purin-9-yl]ethanoic acid

Systemtic Name: 2-[2,6-bis(azanyl)-8-phenylmethoxycarbonyl-purin-9-yl]ethanoic acid Openeye Name: 2-(2,6-diamino-8-benzyloxycarbonyl-purin-9-yl)acetic acid CAS Name: 2-(2,6-diamino-8-phenylmethoxycarbonyl-9-purinyl)acetic acid IUPAC Name: 2-(2,6-diamino-8-phenylmethoxycarbonylpurin-9-yl)acetic acid Traditional Name: 2-(2,6-diamino-8-carbobenzoxy-purin-9-yl)acetic acid Formula: C15H14N6O4 MolecularWeight: 342.30946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(N2CC(=O)O)N=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(N2CC(=O)O)N=C(N=C3N)N

InChI

InChI=1S/C15H14N6O4/c16-11-10-12(20-15(17)19-11)21(6-9(22)23)13(18-10)14(24)25-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,22,23)(H4,16,17,19,20)