3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-chloro-4-fluorophenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-chloro-4-fluoro-phenyl)propionamide Formula: C23H29ClFN5O3 MolecularWeight: 477.959463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClFN5O3/c1-3-5-7-13-29-18(10-11-19(31)26-17-9-8-15(25)14-16(17)24)27-21-20(29)22(32)28-23(33)30(21)12-6-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,26,31)(H,28,32,33)