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

Systemtic Name: 2-cyclopentyl-7-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-benzyl-2-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 2-cyclopentyl-7-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-benzyl-2-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-benzyl-2-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N4C1=NC(=N4)C5CCCC5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N4C1=NC(=N4)C5CCCC5

InChI

InChI=1S/C21H24N6O/c1-2-12-26-20(28)17-19(23-16(22-17)13-14-8-4-3-5-9-14)27-21(26)24-18(25-27)15-10-6-7-11-15/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,22,23)