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

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

Systemtic Name:2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-ethanamide
Openeye Name:2-[4-amino-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-acetamide
CAS Name:2-[[4-amino-5-(4-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylacetamide
IUPAC Name:2-[4-amino-5-(4-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexylacetamide
Traditional Name:2-[(4-amino-3-methyl-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-cyclohexyl-acetamide
Formula: C22H28N6O2S
MolecularWeight: 440.56172
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N


Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N


InChI

InChI=1S/C22H28N6O2S/c1-3-30-17-11-9-16(10-12-17)28-20(23)19-14(2)26-27-21(19)25-22(28)31-13-18(29)24-15-7-5-4-6-8-15/h9-12,15H,3-8,13,23H2,1-2H3,(H,24,29)


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