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

Systemtic Name: 2-[4-azanyl-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-amino-5-(2-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexyl-acetamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N

InChI

InChI=1S/C22H28N6OS/c1-3-15-9-7-8-12-17(15)28-20(23)19-14(2)26-27-21(19)25-22(28)30-13-18(29)24-16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13,23H2,1-2H3,(H,24,29)