4-[2-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]benzoic acid Openeye Name: 4-[2-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]benzoic acid CAS Name: 4-[2-[2,6-dioxo-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]benzoic acid IUPAC Name: 4-[2-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(8-benzyl-2,6-diketo-1-propyl-7H-purin-3-yl)ethyl]benzoic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H24N4O4/c1-2-13-28-22(29)20-21(26-19(25-20)15-17-6-4-3-5-7-17)27(24(28)32)14-12-16-8-10-18(11-9-16)23(30)31/h3-11H,2,12-15H2,1H3,(H,25,26)(H,30,31)