3-(6-benzamidopurin-9-yl)propanoic acid

Systemtic Name: 3-(6-benzamidopurin-9-yl)propanoic acid Openeye Name: 3-(6-benzamidopurin-9-yl)propanoic acid CAS Name: 3-(6-benzamido-9-purinyl)propanoic acid IUPAC Name: 3-(6-benzamidopurin-9-yl)propanoic acid Traditional Name: 3-(6-benzamidopurin-9-yl)propionic acid Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CCC(=O)O

InChI

InChI=1S/C15H13N5O3/c21-11(22)6-7-20-9-18-12-13(16-8-17-14(12)20)19-15(23)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22)(H,16,17,19,23)