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

Systemtic Name: (4-methylphenyl) 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate Openeye Name: p-tolyl 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionic acid p-tolyl ester Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N4O4/c1-4-6-8-16-27-19(13-14-20(29)32-18-11-9-17(3)10-12-18)25-22-21(27)23(30)26-24(31)28(22)15-7-5-2/h9-12H,4-8,13-16H2,1-3H3,(H,26,30,31)