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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butylacetamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6OS/c1-4-6-11-22-16(27)12-28-20-23-19-17(13(3)24-25-19)18(21)26(20)15-9-7-14(5-2)8-10-15/h7-10H,4-6,11-12,21H2,1-3H3,(H,22,27)