6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4O2S/c1-12-4-2-3-5-16(12)25-19(27)15-10-22-24-18(15)23-20(25)28-11-17(26)13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,22,24)