5-bromanyl-N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethyl]-2-furamide Formula: C17H18BrN7O3 MolecularWeight: 448.27392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CNC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CNC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C17H18BrN7O3/c1-23-15-11(8-22-23)16(21-10-20-15)25-6-4-24(5-7-25)14(26)9-19-17(27)12-2-3-13(18)28-12/h2-3,8,10H,4-7,9H2,1H3,(H,19,27)