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

Systemtic Name: 3-bromanyl-4-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-bromo-4-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)Br

InChI

InChI=1S/C20H16BrN5OS/c1-12-5-6-14(8-17(12)21)19(27)25-15-4-2-3-13(7-15)10-28-20-16-9-24-26-18(16)22-11-23-20/h2-9,11H,10H2,1H3,(H,25,27)(H,22,23,24,26)