N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C24H19N7OS MolecularWeight: 453.51896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C24H19N7OS/c1-15-25-9-8-21(29-15)17-5-3-7-19(11-17)30-23(32)18-6-2-4-16(10-18)13-33-24-20-12-28-31-22(20)26-14-27-24/h2-12,14H,13H2,1H3,(H,30,32)(H,26,27,28,31)