2-[2,6-bis(oxidanylidene)-1-phenethyl-7-(phenylmethyl)purin-3-yl]ethanoic acid

Systemtic Name: 2-[2,6-bis(oxidanylidene)-1-phenethyl-7-(phenylmethyl)purin-3-yl]ethanoic acid Openeye Name: 2-(7-benzyl-2,6-dioxo-1-phenethyl-purin-3-yl)acetic acid CAS Name: 2-[2,6-dioxo-1-phenethyl-7-(phenylmethyl)-3-purinyl]acetic acid IUPAC Name: 2-(7-benzyl-2,6-dioxo-1-phenethylpurin-3-yl)acetic acid Traditional Name: 2-(7-benzyl-2,6-diketo-1-phenethyl-purin-3-yl)acetic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC(=O)O

InChI

InChI=1S/C22H20N4O4/c27-18(28)14-26-20-19(24(15-23-20)13-17-9-5-2-6-10-17)21(29)25(22(26)30)12-11-16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,27,28)