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

Systemtic Name: 5-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17BrN4O MolecularWeight: 409.27918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H17BrN4O/c1-13-7-14(2)9-17(8-13)25-19-18(10-23-25)20(26)24(12-22-19)11-15-3-5-16(21)6-4-15/h3-10,12H,11H2,1-2H3