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

Systemtic Name: 7-cyclopentyl-4-ethyl-2-(pyrrol-1-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-cyclopentyl-4-ethyl-2-(pyrrol-1-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-ethyl-2-(1-pyrrolylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-cyclopentyl-4-ethyl-2-(pyrrol-1-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-cyclopentyl-4-ethyl-2-(pyrrol-1-ylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CN5C=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CN5C=CC=C5

InChI

InChI=1S/C18H21N7O/c1-2-24-17(26)14-16(21-15(20-14)12-7-3-4-8-12)25-18(24)19-13(22-25)11-23-9-5-6-10-23/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,21)