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

Systemtic Name: N-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[4-(1-hydroxyethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(1-hydroxyethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-13(27)15-5-7-17(8-6-15)25-20(28)16-4-2-3-14(9-16)11-29-21-18-10-24-26-19(18)22-12-23-21/h2-10,12-13,27H,11H2,1H3,(H,25,28)(H,22,23,24,26)