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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N

InChI

InChI=1S/C24H26N6O2S/c1-3-32-19-12-8-7-11-18(19)30-22(25)21-16(2)28-29-23(21)27-24(30)33-15-20(31)26-14-13-17-9-5-4-6-10-17/h4-12H,3,13-15,25H2,1-2H3,(H,26,31)