6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H22N6O MolecularWeight: 362.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=NC4=CC=CC=C4N3)N(N1)C5CCCC5

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=NC4=CC=CC=C4N3)N(N1)C5CCCC5

InChI

InChI=1S/C20H22N6O/c1-2-13-18-19(26(25-13)12-7-3-4-8-12)23-17(24-20(18)27)11-16-21-14-9-5-6-10-15(14)22-16/h5-6,9-10,12,25H,2-4,7-8,11H2,1H3,(H,21,22)