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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(2-fluorophenyl)methyl]-N-methyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(2-fluorophenyl)methyl]-N-methyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-fluorobenzyl)-N-methyl-propionamide Formula: C25H34FN5O3 MolecularWeight: 471.567563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=CC=CC=C3F

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=CC=CC=C3F

InChI

InChI=1S/C25H34FN5O3/c1-4-6-10-16-30-20(13-14-21(32)29(3)17-18-11-8-9-12-19(18)26)27-23-22(30)24(33)28-25(34)31(23)15-7-5-2/h8-9,11-12H,4-7,10,13-17H2,1-3H3,(H,28,33,34)