6-(chloromethyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(chloromethyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-6-(chloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(chloromethyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-6-(chloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-6-(chloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H11ClN4O MolecularWeight: 274.70564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)CCl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)CCl

InChI

InChI=1S/C13H11ClN4O/c14-6-11-16-12-10(13(19)17-11)7-15-18(12)8-9-4-2-1-3-5-9/h1-5,7,15H,6,8H2