2-[4-azanyl-5-(2-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(2-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-amino-5-(2-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(2-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-amino-5-(2-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-amino-3-methyl-5-o-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)N4CCC(CC4)C)C)N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)N4CCC(CC4)C)C)N

InChI

InChI=1S/C22H28N6O2S/c1-4-30-17-8-6-5-7-16(17)28-20(23)19-15(3)25-26-21(19)24-22(28)31-13-18(29)27-11-9-14(2)10-12-27/h5-8,14H,4,9-13,23H2,1-3H3