2-[[5-(2-bromophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(2-bromophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Br

InChI

InChI=1S/C21H18BrN5O2S/c22-16-8-4-5-9-17(16)27-20(29)15-12-24-26-19(15)25-21(27)30-13-18(28)23-11-10-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,23,28)(H,24,26)