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

Systemtic Name: 4-butyl-7-cyclopentyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-butyl-7-cyclopentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 4-butyl-7-cyclopentyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-butyl-7-cyclopentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-butyl-7-cyclopentyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C22H26N6O/c1-2-3-13-27-21(29)18-20(25-19(24-18)16-11-7-8-12-16)28-22(27)23-17(26-28)14-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,24,25)