2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]ethanoic acid Openeye Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)acetic acid CAS Name: 2-[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]acetic acid IUPAC Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)acetic acid Traditional Name: 2-(6-amino-9-benzyl-8-keto-7H-purin-2-yl)acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC(=O)O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC(=O)O)N)NC2=O

InChI

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