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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NCC(=O)O

InChI

InChI=1S/C14H13N5O2/c20-11(21)6-15-13-12-14(17-8-16-13)19(9-18-12)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,20,21)(H,15,16,17)