N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(methylthio)nicotinamide Formula: C20H27N7OS2 MolecularWeight: 445.60468

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)NCC(C)C

InChI

InChI=1S/C20H27N7OS2/c1-5-30-20-25-16(23-11-13(2)3)15-12-24-27(17(15)26-20)10-9-21-18(28)14-7-6-8-22-19(14)29-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,21,28)(H,23,25,26)