2-[2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]ethanoic acid

Systemtic Name: 2-[2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]ethanoic acid Openeye Name: 2-(7-benzyl-2,6-dioxo-purin-3-yl)acetic acid CAS Name: 2-[2,6-dioxo-7-(phenylmethyl)-3-purinyl]acetic acid IUPAC Name: 2-(7-benzyl-2,6-dioxopurin-3-yl)acetic acid Traditional Name: 2-(7-benzyl-2,6-diketo-purin-3-yl)acetic acid Formula: C14H12N4O4 MolecularWeight: 300.26948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC(=O)O

InChI

InChI=1S/C14H12N4O4/c19-10(20)7-18-12-11(13(21)16-14(18)22)17(8-15-12)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,16,21,22)