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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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