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

Systemtic Name: 7-cyclopentyl-4-ethyl-2-(methylaminomethyl)-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-(methylaminomethyl)-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-ethyl-2-(methylaminomethyl)-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-(methylaminomethyl)-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-(methylaminomethyl)-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N5C1=NC(=N5)CNC

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N5C1=NC(=N5)CNC

InChI

InChI=1S/C22H27N7O/c1-3-27-21(30)18-20(29-22(27)24-17(26-29)13-23-2)25-19(16-11-7-8-12-16)28(18)14-15-9-5-4-6-10-15/h4-6,9-10,16,23H,3,7-8,11-14H2,1-2H3