[5-ethanoyl-6-methyl-4-phenyl-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4H-pyrimidin-2-yl]boron

Systemtic Name: [5-ethanoyl-6-methyl-4-phenyl-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4H-pyrimidin-2-yl]boron Openeye Name: [5-acetyl-6-methyl-4-phenyl-3-[3-[4-(2-pyridyl)-1-piperidyl]propylcarbamoyl]-4H-pyrimidin-2-yl]boron CAS Name: [5-acetyl-6-methyl-3-[oxo-[3-[4-(2-pyridinyl)-1-piperidinyl]propylamino]methyl]-4-phenyl-4H-pyrimidin-2-yl]boron IUPAC Name: [5-acetyl-6-methyl-4-phenyl-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4H-pyrimidin-2-yl]boron Traditional Name: [5-acetyl-6-methyl-4-phenyl-3-[3-[4-(2-pyridyl)piperidino]propylcarbamoyl]-4H-pyrimidin-2-yl]boron Formula: C27H32BN5O2 MolecularWeight: 469.38628

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=NC(=C(C(N1C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)C)C

Isomeric SMILES

[B]C1=NC(=C(C(N1C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)C)C

InChI

InChI=1S/C27H32BN5O2/c1-19-24(20(2)34)25(22-9-4-3-5-10-22)33(26(28)31-19)27(35)30-15-8-16-32-17-12-21(13-18-32)23-11-6-7-14-29-23/h3-7,9-11,14,21,25H,8,12-13,15-18H2,1-2H3,(H,30,35)