N-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamide

Systemtic Name: N-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamide Openeye Name: N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide CAS Name: N-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide IUPAC Name: N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide Traditional Name: N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide Formula: C26H25ClF3N7O5 MolecularWeight: 607.96881

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

COCCOCCOCC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C26H25ClF3N7O5/c1-40-8-9-41-10-11-42-13-21(38)36-23-22-24(32-14-31-23)37(15-33-22)18-5-2-16(3-6-18)34-25(39)35-17-4-7-20(27)19(12-17)26(28,29)30/h2-7,12,14-15H,8-11,13H2,1H3,(H2,34,35,39)(H,31,32,36,38)