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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N

InChI

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