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

Systemtic Name: 2-bromanyl-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Formula: C20H25BrN6O3S MolecularWeight: 509.4199

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN6O3S/c1-4-31-20-25-17(22-8-10-29-2)15-12-24-27(18(15)26-20)9-7-23-19(28)14-11-13(30-3)5-6-16(14)21/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,28)(H,22,25,26)