2-bromanyl-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Formula: C21H27BrN6O2S MolecularWeight: 507.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)NCC(C)C

InChI

InChI=1S/C21H27BrN6O2S/c1-5-31-21-26-18(24-11-13(2)3)16-12-25-28(19(16)27-21)9-8-23-20(29)15-10-14(30-4)6-7-17(15)22/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,23,29)(H,24,26,27)