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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OCC)N)C

Isomeric SMILES

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OCC)N)C

InChI

InChI=1S/C22H30N6O2S/c1-6-17(21(29)27(7-2)8-3)31-22-24-20-18(14(5)25-26-20)19(23)28(22)15-10-12-16(13-11-15)30-9-4/h10-13,17H,6-9,23H2,1-5H3