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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4OCC)N)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4OCC)N)C

InChI

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