4-cyano-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 4-cyano-N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 4-cyano-N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 4-cyano-N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7OS/c1-4-30-21-26-18(24-12-14(2)3)17-13-25-28(19(17)27-21)10-9-23-20(29)16-7-5-15(11-22)6-8-16/h5-8,13-14H,4,9-10,12H2,1-3H3,(H,23,29)(H,24,26,27)