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

Systemtic Name: 7-cyclopentyl-2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-7-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-7-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-7-cyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C21H24N6O MolecularWeight: 376.45486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C21H24N6O/c1-2-12-26-20(28)17-19(24-18(23-17)15-10-6-7-11-15)27-21(26)22-16(25-27)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,23,24)