[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CC(=C3O)C(C)C)C(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CC(=C3O)C(C)C)C(C)C)C

InChI

InChI=1S/C24H32N4O5/c1-7-8-9-28-21-19(22(30)26-24(28)32)27(6)18(25-21)12-33-23(31)17-11-15(13(2)3)10-16(14(4)5)20(17)29/h10-11,13-14,29H,7-9,12H2,1-6H3,(H,26,30,32)