1-(3,5-dimethylphenyl)-5-phenacyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,5-dimethylphenyl)-5-phenacyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,5-dimethylphenyl)-5-phenacyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,5-dimethylphenyl)-5-phenacyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3,5-dimethylphenyl)-5-phenacylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,5-dimethylphenyl)-5-phenacyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2/c1-14-8-15(2)10-17(9-14)25-20-18(11-23-25)21(27)24(13-22-20)12-19(26)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3