1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H19N5OS2/c1-12-7-8-23(14-5-3-4-6-15(14)26-12)16(24)10-25-18-13-9-21-22(2)17(13)19-11-20-18/h3-6,9,11-12H,7-8,10H2,1-2H3