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

Systemtic Name: 5-(4-bromophenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13BrN4O2S MolecularWeight: 441.30112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H13BrN4O2S/c20-13-6-8-14(9-7-13)24-18(26)15-10-21-23-17(15)22-19(24)27-11-16(25)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,23)