3-[6-oxidanylidene-8-[2-(pyrimidin-2-ylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[6-oxidanylidene-8-[2-(pyrimidin-2-ylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[6-oxo-8-[2-(pyrimidin-2-ylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [oxo-[3-[[6-oxo-8-[oxo-[2-(2-pyrimidinylamino)propylamino]methyl]-3-quinolizinyl]oxy]propylamino]methyl]boron IUPAC Name: 3-[6-oxo-8-[2-(pyrimidin-2-ylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[6-keto-8-[2-(2-pyrimidylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron Formula: C21H23BN6O4 MolecularWeight: 434.25612

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NC3=NC=CC=N3)C=C1

Isomeric SMILES

[B]C(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NC3=NC=CC=N3)C=C1

InChI

InChI=1S/C21H23BN6O4/c1-14(27-21-24-6-2-7-25-21)12-26-19(30)15-10-16-4-5-17(13-28(16)18(29)11-15)32-9-3-8-23-20(22)31/h2,4-7,10-11,13-14H,3,8-9,12H2,1H3,(H,23,31)(H,26,30)(H,24,25,27)