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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(5-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(5-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(5-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(5-fluoro-2-methylphenyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(5-fluoro-2-methyl-phenyl)propionamide Formula: C23H30FN5O3 MolecularWeight: 443.514403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)F)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)F)C

InChI

InChI=1S/C23H30FN5O3/c1-4-6-12-28-18(10-11-19(30)25-17-14-16(24)9-8-15(17)3)26-21-20(28)22(31)27-23(32)29(21)13-7-5-2/h8-9,14H,4-7,10-13H2,1-3H3,(H,25,30)(H,27,31,32)