3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(pyrimidin-2-ylamino)propyl]carbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(pyrimidin-2-ylamino)propyl]carbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[8-[[3-hydroxy-3-oxo-2-(pyrimidin-2-ylamino)propyl]carbamoyl]-6-oxo-quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [[3-[[8-[[[3-hydroxy-3-oxo-2-(2-pyrimidinylamino)propyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylamino]-oxomethyl]boron IUPAC Name: 3-[8-[[3-hydroxy-3-oxo-2-(pyrimidin-2-ylamino)propyl]carbamoyl]-6-oxoquinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[8-[[3-hydroxy-3-keto-2-(2-pyrimidylamino)propyl]carbamoyl]-6-keto-quinolizin-3-yl]oxypropylcarbamoylboron Formula: C21H21BN6O6 MolecularWeight: 464.23904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BN6O6/c22-20(33)23-7-2-8-34-15-4-3-14-9-13(10-17(29)28(14)12-15)18(30)26-11-16(19(31)32)27-21-24-5-1-6-25-21/h1,3-6,9-10,12,16H,2,7-8,11H2,(H,23,33)(H,26,30)(H,31,32)(H,24,25,27)