5-(2-bromophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-bromophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-bromophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-bromophenyl)-6-[(3-nitrophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-bromophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-bromophenyl)-6-[(3-nitrobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12BrN5O3S MolecularWeight: 458.28858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])Br

InChI

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