2-(dimethylamino)-N-[3-oxidanyl-3-[3-(pyridin-3-ylcarbonylamino)phenyl]propyl]-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(dimethylamino)-N-[3-oxidanyl-3-[3-(pyridin-3-ylcarbonylamino)phenyl]propyl]-4-phenyl-pyrimidine-5-carboxamide Openeye Name: 2-(dimethylamino)-N-[3-hydroxy-3-[3-(pyridine-3-carbonylamino)phenyl]propyl]-4-phenyl-pyrimidine-5-carboxamide CAS Name: 2-(dimethylamino)-N-[3-hydroxy-3-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]propyl]-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: 2-(dimethylamino)-N-[3-hydroxy-3-[3-(pyridine-3-carbonylamino)phenyl]propyl]-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(dimethylamino)-N-[3-hydroxy-3-(3-nicotinamidophenyl)propyl]-4-phenyl-pyrimidine-5-carboxamide Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC(C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)O

Isomeric SMILES

CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC(C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)O

InChI

InChI=1S/C28H28N6O3/c1-34(2)28-31-18-23(25(33-28)19-8-4-3-5-9-19)27(37)30-15-13-24(35)20-10-6-12-22(16-20)32-26(36)21-11-7-14-29-17-21/h3-12,14,16-18,24,35H,13,15H2,1-2H3,(H,30,37)(H,32,36)