2-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-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-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-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-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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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)N5CCCC5

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

InChI

InChI=1S/C22H26N6O3S/c1-14-18(31-17-8-4-3-7-16(17)30-14)21(29)23-9-12-28-20-15(13-24-28)19(25-22(26-20)32-2)27-10-5-6-11-27/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,23,29)