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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butyl-N-ethylacetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-N-ethylacetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-N-ethyl-acetamide Formula: C20H25BrN6OS MolecularWeight: 477.4211

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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)Br)N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN6OS/c1-4-6-11-26(5-2)16(28)12-29-20-23-19-17(13(3)24-25-19)18(22)27(20)15-9-7-14(21)8-10-15/h7-10H,4-6,11-12,22H2,1-3H3