2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethoxyphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-o-phenetyl-acetamide Formula: C22H21BrN6O2S MolecularWeight: 513.41014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C22H21BrN6O2S/c1-3-31-17-7-5-4-6-16(17)25-18(30)12-32-22-26-21-19(13(2)27-28-21)20(24)29(22)15-10-8-14(23)9-11-15/h4-11H,3,12,24H2,1-2H3,(H,25,30)