7-cyclopentyl-4-ethyl-2-(pyridin-3-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 7-cyclopentyl-4-ethyl-2-(pyridin-3-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-cyclopentyl-4-ethyl-2-(3-pyridylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-ethyl-2-(3-pyridinylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-cyclopentyl-4-ethyl-2-(pyridin-3-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-cyclopentyl-4-ethyl-2-(3-pyridylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CN=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CN=CC=C5

InChI

InChI=1S/C19H21N7O/c1-2-25-18(27)15-17(23-16(22-15)13-7-3-4-8-13)26-19(25)21-14(24-26)10-12-6-5-9-20-11-12/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,22,23)