2-[2-azanyl-6-(phenylmethyl)purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-6-(phenylmethyl)purin-9-yl]ethanoic acid Openeye Name: 2-(2-amino-6-benzyl-purin-9-yl)acetic acid CAS Name: 2-[2-amino-6-(phenylmethyl)-9-purinyl]acetic acid IUPAC Name: 2-(2-amino-6-benzylpurin-9-yl)acetic acid Traditional Name: 2-(2-amino-6-benzyl-purin-9-yl)acetic acid Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N(C=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N(C=N3)CC(=O)O

InChI

InChI=1S/C14H13N5O2/c15-14-17-10(6-9-4-2-1-3-5-9)12-13(18-14)19(8-16-12)7-11(20)21/h1-5,8H,6-7H2,(H,20,21)(H2,15,17,18)