5-[(2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(o-tolylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-[(2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H12N4O MolecularWeight: 240.26058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC3=C(C2=O)C=NN3

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC3=C(C2=O)C=NN3

InChI

InChI=1S/C13H12N4O/c1-9-4-2-3-5-10(9)7-17-8-14-12-11(13(17)18)6-15-16-12/h2-6,8H,7H2,1H3,(H,15,16)