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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-ethanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butyl-N-ethylacetamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethylacetamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-N-ethyl-acetamide Formula: C22H30N6OS MolecularWeight: 426.5782

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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)CC)N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6OS/c1-5-8-13-27(7-3)18(29)14-30-22-24-21-19(15(4)25-26-21)20(23)28(22)17-11-9-16(6-2)10-12-17/h9-12H,5-8,13-14,23H2,1-4H3