(4-ethylphenyl) 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: (4-ethylphenyl) 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: (4-ethylphenyl) 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid (4-ethylphenyl) ester Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3=CC=C(C=C3)CC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3=CC=C(C=C3)CC)CC(C)C

InChI

InChI=1S/C24H32N4O4/c1-5-7-14-27-22-21(23(30)26-24(27)31)28(15-16(3)4)19(25-22)12-13-20(29)32-18-10-8-17(6-2)9-11-18/h8-11,16H,5-7,12-15H2,1-4H3,(H,26,30,31)