2-[6-azanyl-1-(phenylcarbonyl)-6H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-1-(phenylcarbonyl)-6H-purin-9-yl]ethanoic acid Openeye Name: 2-(6-amino-1-benzoyl-6H-purin-9-yl)acetic acid CAS Name: 2-(6-amino-1-benzoyl-6H-purin-9-yl)acetic acid IUPAC Name: 2-(6-amino-1-benzoyl-6H-purin-9-yl)acetic acid Traditional Name: 2-(6-amino-1-benzoyl-6H-purin-9-yl)acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=NC3=C(C2N)N=CN3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=NC3=C(C2N)N=CN3CC(=O)O

InChI

InChI=1S/C14H13N5O3/c15-12-11-13(18(7-16-11)6-10(20)21)17-8-19(12)14(22)9-4-2-1-3-5-9/h1-5,7-8,12H,6,15H2,(H,20,21)