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

Systemtic Name: 2-(ethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 2-(ethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 2-(ethylamino)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 2-(ethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 2-(ethylamino)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C21H20N6OS MolecularWeight: 404.4881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CCNC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H20N6OS/c1-2-22-18-9-4-3-8-16(18)20(28)26-15-7-5-6-14(10-15)12-29-21-17-11-25-27-19(17)23-13-24-21/h3-11,13,22H,2,12H2,1H3,(H,26,28)(H,23,24,25,27)