3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-2-[4-(phenylmethyl)-1-phthalazinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=NC2=O)NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=NC=NC2=O)NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C21H16N6O/c1-13-18-19(22-12-23-21(18)28)26-27(13)20-16-10-6-5-9-15(16)17(24-25-20)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,23,26,28)