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

Systemtic Name: (4-methylphenyl) 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: p-tolyl 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-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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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)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-5-6-13-26-21-20(22(29)25-23(26)30)27(14-15(2)3)18(24-21)11-12-19(28)31-17-9-7-16(4)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,25,29,30)