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

Systemtic Name: N-[3-(2-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(2-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[3-(2-hydroxyethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[3-(2-hydroxyethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(2-hydroxyethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c27-8-7-14-3-2-6-17(10-14)25-20(28)16-5-1-4-15(9-16)12-29-21-18-11-24-26-19(18)22-13-23-21/h1-6,9-11,13,27H,7-8,12H2,(H,25,28)(H,22,23,24,26)