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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-5-12-27(13-6-2)18(29)14-31-22-24-21-19(15(4)25-26-21)20(23)28(22)16-8-10-17(11-9-16)30-7-3/h8-11H,5-7,12-14,23H2,1-4H3