[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H30FN5O5 MolecularWeight: 499.534603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CC(=O)N(C3)C4=CC(=C(C=C4)C)F)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CC(=O)N(C3)C4=CC(=C(C=C4)C)F)CCC

InChI

InChI=1S/C25H30FN5O5/c1-4-6-10-30-22-21(23(33)28-25(30)35)29(9-5-2)19(27-22)14-36-24(34)16-11-20(32)31(13-16)17-8-7-15(3)18(26)12-17/h7-8,12,16H,4-6,9-11,13-14H2,1-3H3,(H,28,33,35)