6-[(4-bromophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12BrN5O3S MolecularWeight: 458.28858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN5O3S/c19-12-3-1-11(2-4-12)10-28-18-21-16-15(17(25)22-18)9-20-23(16)13-5-7-14(8-6-13)24(26)27/h1-9,20H,10H2