N-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C18H18N8OS MolecularWeight: 394.45352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H18N8OS/c1-24-15-12(10-21-24)16(20-11-19-15)25-6-8-26(9-7-25)18(27)23-17-22-13-4-2-3-5-14(13)28-17/h2-5,10-11H,6-9H2,1H3,(H,22,23,27)