3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(5-fluoranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(5-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(5-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(5-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(5-fluoro-2-methylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(5-fluoro-2-methyl-phenyl)propionamide Formula: C24H32FN5O3 MolecularWeight: 457.540983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)F)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)F)C

InChI

InChI=1S/C24H32FN5O3/c1-4-6-8-14-29-19(11-12-20(31)26-18-15-17(25)10-9-16(18)3)27-22-21(29)23(32)28-24(33)30(22)13-7-5-2/h9-10,15H,4-8,11-14H2,1-3H3,(H,26,31)(H,28,32,33)