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

Systemtic Name: 2-[4-azanyl-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(2-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-p-phenetyl-acetamide Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)OCC)C)N

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)OCC)C)N

InChI

InChI=1S/C24H26N6O2S/c1-4-16-8-6-7-9-19(16)30-22(25)21-15(3)28-29-23(21)27-24(30)33-14-20(31)26-17-10-12-18(13-11-17)32-5-2/h6-13H,4-5,14,25H2,1-3H3,(H,26,31)