[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H26FN5O4 MolecularWeight: 467.492743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C)CCC

InChI

InChI=1S/C24H26FN5O4/c1-4-6-10-30-21-20(22(31)28-24(30)33)29(9-5-2)19(27-21)13-34-23(32)17-11-15-7-8-16(25)12-18(15)26-14(17)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,28,31,33)