N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3C(OC4=CC=CC=C4O3)C)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3C(OC4=CC=CC=C4O3)C)C(=N1)N5CCCC5

InChI

InChI=1S/C23H28N6O3S/c1-3-33-23-26-20(28-11-6-7-12-28)16-14-25-29(21(16)27-23)13-10-24-22(30)19-15(2)31-17-8-4-5-9-18(17)32-19/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3,(H,24,30)