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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butan-2-yl-ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-sec-butyl-acetamide Formula: C18H21BrN6OS MolecularWeight: 449.36794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN6OS/c1-4-10(2)21-14(26)9-27-18-22-17-15(11(3)23-24-17)16(20)25(18)13-7-5-12(19)6-8-13/h5-8,10H,4,9,20H2,1-3H3,(H,21,26)