3-azanyl-5-(4-bromophenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-bromophenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(4-bromophenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-bromophenyl)-1-methyl-6-[4-(methylthio)phenyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-amino-5-(4-bromophenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-5-(4-bromophenyl)-1-methyl-6-[4-(methylthio)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)N)C(=O)N(C(=N2)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=N1)N)C(=O)N(C(=N2)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H16BrN5OS/c1-24-18-15(16(21)23-24)19(26)25(13-7-5-12(20)6-8-13)17(22-18)11-3-9-14(27-2)10-4-11/h3-10H,1-2H3,(H2,21,23)