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

Systemtic Name: 2-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 2-methyl-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

InChI

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