[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C24H29FN4O4 MolecularWeight: 456.509863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CCCC3)C4=CC=C(C=C4)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CCCC3)C4=CC=C(C=C4)F)CC

InChI

InChI=1S/C24H29FN4O4/c1-3-5-14-29-20-19(21(30)27-23(29)32)28(4-2)18(26-20)15-33-22(31)24(12-6-7-13-24)16-8-10-17(25)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,27,30,32)