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

Systemtic Name: 3-bromanyl-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide Openeye Name: 3-bromo-N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide CAS Name: 3-bromo-N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]propanamide IUPAC Name: 3-bromo-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide Traditional Name: 3-bromo-N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C16H25BrN6OS MolecularWeight: 429.3783

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CCBr)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCBr)C(=N1)NCC(C)C

InChI

InChI=1S/C16H25BrN6OS/c1-4-25-16-21-14(19-9-11(2)3)12-10-20-23(15(12)22-16)8-7-18-13(24)5-6-17/h10-11H,4-9H2,1-3H3,(H,18,24)(H,19,21,22)