7-cyclopentyl-4-pentyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 7-cyclopentyl-4-pentyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-7-cyclopentyl-4-pentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-pentyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-7-cyclopentyl-4-pentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 4-amyl-2-benzyl-7-cyclopentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C23H28N6O/c1-2-3-9-14-28-22(30)19-21(26-20(25-19)17-12-7-8-13-17)29-23(28)24-18(27-29)15-16-10-5-4-6-11-16/h4-6,10-11,17H,2-3,7-9,12-15H2,1H3,(H,25,26)