2-[2-(phenylmethyl)-7H-purin-8-yl]ethanoic acid

Systemtic Name: 2-[2-(phenylmethyl)-7H-purin-8-yl]ethanoic acid Openeye Name: 2-(2-benzyl-7H-purin-8-yl)acetic acid CAS Name: 2-[2-(phenylmethyl)-7H-purin-8-yl]acetic acid IUPAC Name: 2-(2-benzyl-7H-purin-8-yl)acetic acid Traditional Name: 2-(2-benzyl-7H-purin-8-yl)acetic acid Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O2/c19-13(20)7-12-16-10-8-15-11(17-14(10)18-12)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,15,16,17,18)