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

Systemtic Name: 7-tert-butyl-4-ethyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-7-tert-butyl-4-ethyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-tert-butyl-4-ethyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-7-tert-butyl-4-ethyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-7-tert-butyl-4-ethyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C19H22N6O MolecularWeight: 350.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N3C1=NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N3C1=NC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6O/c1-5-24-16(26)14-15(22-17(21-14)19(2,3)4)25-18(24)20-13(23-25)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,21,22)