3-phenyl-2-(7H-purin-2-ylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(7H-purin-2-ylamino)propanoic acid Openeye Name: 3-phenyl-2-(7H-purin-2-ylamino)propanoic acid CAS Name: 3-phenyl-2-(7H-purin-2-ylamino)propanoic acid IUPAC Name: 3-phenyl-2-(7H-purin-2-ylamino)propanoic acid Traditional Name: 3-phenyl-2-(7H-purin-2-ylamino)propionic acid Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC=C3C(=N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC=C3C(=N2)N=CN3

InChI

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