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

Systemtic Name: 4-ethyl-2-(phenylmethyl)-7-pyridin-4-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-ethyl-7-(4-pyridyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 4-ethyl-2-(phenylmethyl)-7-pyridin-4-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-ethyl-7-pyridin-4-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-ethyl-7-(4-pyridyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C20H17N7O MolecularWeight: 371.39528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3=CC=NC=C3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3=CC=NC=C3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C20H17N7O/c1-2-26-19(28)16-18(24-17(23-16)14-8-10-21-11-9-14)27-20(26)22-15(25-27)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,23,24)