N-[2-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-keto-ethyl]benzamide Formula: C22H27N7O2S MolecularWeight: 453.56048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CNC(=O)C3=CC=CC=C3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CNC(=O)C3=CC=CC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C22H27N7O2S/c1-2-32-22-26-19(28-11-6-7-12-28)17-14-25-29(20(17)27-22)13-10-23-18(30)15-24-21(31)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3,(H,23,30)(H,24,31)