3-(7-bromanyl-5-oxidanylidene-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethyl-propanamide

Systemtic Name: 3-(7-bromanyl-5-oxidanylidene-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethyl-propanamide Openeye Name: 3-(7-bromo-5-oxo-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethyl-propanamide CAS Name: 3-(7-bromo-5-oxo-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethylpropanamide IUPAC Name: 3-(7-bromo-5-oxo-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethylpropanamide Traditional Name: 3-(9-amyl-7-bromo-5-keto-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)-N-phenethyl-propionamide Formula: C22H26BrN7O2 MolecularWeight: 500.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3CCC(=O)NCCC4=CC=CC=C4)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3CCC(=O)NCCC4=CC=CC=C4)NC(=N2)Br

InChI

InChI=1S/C22H26BrN7O2/c1-2-3-7-14-29-19-18(25-21(23)26-19)20(32)30-16(27-28-22(29)30)10-11-17(31)24-13-12-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,24,31)(H,25,26)