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

Systemtic Name: 2-bromanyl-N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Formula: C20H25BrN6O2S MolecularWeight: 493.4205

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN6O2S/c1-5-30-20-25-17(24-12(2)3)15-11-23-27(18(15)26-20)9-8-22-19(28)14-10-13(29-4)6-7-16(14)21/h6-7,10-12H,5,8-9H2,1-4H3,(H,22,28)(H,24,25,26)