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

Systemtic Name: 5-[(2-chlorophenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chlorophenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chlorophenyl)methyl]-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chlorophenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chlorobenzyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClN5O3 MolecularWeight: 381.77258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O3/c19-16-4-2-1-3-12(16)10-22-11-20-17-15(18(22)25)9-21-23(17)13-5-7-14(8-6-13)24(26)27/h1-9,11H,10H2