N-[2-(6-ethylsulfanyl-4-piperidin-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-piperidin-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-(1-piperidyl)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-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-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-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3C(OC4=CC=CC=C4O3)C)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3C(OC4=CC=CC=C4O3)C)C(=N1)N5CCCCC5

InChI

InChI=1S/C24H30N6O3S/c1-3-34-24-27-21(29-12-7-4-8-13-29)17-15-26-30(22(17)28-24)14-11-25-23(31)20-16(2)32-18-9-5-6-10-19(18)33-20/h5-6,9-10,15-16,20H,3-4,7-8,11-14H2,1-2H3,(H,25,31)