2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidyl]-1,3-benzothiazole Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2C=NN3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=NC3=C2C=NN3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C17H16N6S/c1-2-6-14-13(5-1)21-17(24-14)11-4-3-7-23(9-11)16-12-8-20-22-15(12)18-10-19-16/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,18,19,20,22)/t11-/m0/s1