2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)ethanamide Openeye Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)acetamide CAS Name: 2-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)acetamide Traditional Name: 2-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(4-butylphenyl)acetamide Formula: C23H22BrN5OS MolecularWeight: 496.42268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN5OS/c1-2-3-4-16-5-9-18(10-6-16)28-21(30)14-31-23-20-13-27-29(22(20)25-15-26-23)19-11-7-17(24)8-12-19/h5-13,15H,2-4,14H2,1H3,(H,28,30)