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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butyl-N-ethylacetamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethylacetamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-N-ethyl-acetamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-5-7-11-26(6-2)17(28)13-29-21-23-20-18(15(4)24-25-20)19(22)27(21)16-10-8-9-14(3)12-16/h8-10,12H,5-7,11,13,22H2,1-4H3