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

Systemtic Name: 5-[(2-bromophenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-bromophenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-bromophenyl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-bromophenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-bromobenzyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12BrN5O3 MolecularWeight: 426.22358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN5O3/c19-14-6-2-1-5-12(14)10-22-11-20-17-13(18(22)25)9-21-23(17)15-7-3-4-8-16(15)24(26)27/h1-9,11H,10H2