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

Systemtic Name: [6-methyl-4-phenyl-3-propanoyl-5-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4H-pyrimidin-2-yl]boron Openeye Name: [6-methyl-4-phenyl-3-propanoyl-5-[3-[4-(2-pyridyl)-1-piperidyl]propylcarbamoyl]-4H-pyrimidin-2-yl]boron CAS Name: [6-methyl-3-(1-oxopropyl)-5-[oxo-[3-[4-(2-pyridinyl)-1-piperidinyl]propylamino]methyl]-4-phenyl-4H-pyrimidin-2-yl]boron IUPAC Name: [6-methyl-4-phenyl-3-propanoyl-5-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4H-pyrimidin-2-yl]boron Traditional Name: [6-methyl-4-phenyl-3-propionyl-5-[3-[4-(2-pyridyl)piperidino]propylcarbamoyl]-4H-pyrimidin-2-yl]boron Formula: C28H34BN5O2 MolecularWeight: 483.41286

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=NC(=C(C(N1C(=O)CC)C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)C4=CC=CC=N4)C

Isomeric SMILES

[B]C1=NC(=C(C(N1C(=O)CC)C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C28H34BN5O2/c1-3-24(35)34-26(22-10-5-4-6-11-22)25(20(2)32-28(34)29)27(36)31-16-9-17-33-18-13-21(14-19-33)23-12-7-8-15-30-23/h4-8,10-12,15,21,26H,3,9,13-14,16-19H2,1-2H3,(H,31,36)