N-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[4-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C23H18BrN7OS MolecularWeight: 520.40432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5)Br

InChI

InChI=1S/C23H18BrN7OS/c1-31-11-19(24)20(30-31)15-5-7-17(8-6-15)28-22(32)16-4-2-3-14(9-16)12-33-23-18-10-27-29-21(18)25-13-26-23/h2-11,13H,12H2,1H3,(H,28,32)(H,25,26,27,29)