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

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

Systemtic Name:2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-ethanamide
Openeye Name:2-[4-amino-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-acetamide
CAS Name:2-[[4-amino-5-(4-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butyl-N-ethylacetamide
IUPAC Name:2-[4-amino-5-(4-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethylacetamide
Traditional Name:2-[(4-amino-3-methyl-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-butyl-N-ethyl-acetamide
Formula: C22H30N6O2S
MolecularWeight: 442.5776
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OCC)N)C


Isomeric SMILES

CCCCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OCC)N)C


InChI

InChI=1S/C22H30N6O2S/c1-5-8-13-27(6-2)18(29)14-31-22-24-21-19(15(4)25-26-21)20(23)28(22)16-9-11-17(12-10-16)30-7-3/h9-12H,5-8,13-14,23H2,1-4H3


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