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

Systemtic Name: 7-cyclopentyl-4-ethyl-2-(hydroxymethyl)-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-(hydroxymethyl)-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-ethyl-2-(hydroxymethyl)-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-(hydroxymethyl)-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 6-benzyl-7-cyclopentyl-4-ethyl-2-methylol-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-2-25-20(29)17-19(27-21(25)22-16(13-28)24-27)23-18(15-10-6-7-11-15)26(17)12-14-8-4-3-5-9-14/h3-5,8-9,15,28H,2,6-7,10-13H2,1H3