4-[5-(3,5-dimethylphenyl)-2-morpholin-4-yl-pyrimidin-4-yl]-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[5-(3,5-dimethylphenyl)-2-morpholin-4-yl-pyrimidin-4-yl]-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[5-(3,5-dimethylphenyl)-2-morpholino-pyrimidin-4-yl]-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[5-(3,5-dimethylphenyl)-2-(4-morpholinyl)-4-pyrimidinyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[5-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[5-(3,5-dimethylphenyl)-2-morpholino-pyrimidin-4-yl]-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)NC(CO)C4=CC=CC=C4)N5CCOCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N[C@@H](CO)C4=CC=CC=C4)N5CCOCC5)C

InChI

InChI=1S/C29H31N5O3/c1-19-12-20(2)14-22(13-19)24-17-31-29(34-8-10-37-11-9-34)33-27(24)23-15-25(30-16-23)28(36)32-26(18-35)21-6-4-3-5-7-21/h3-7,12-17,26,30,35H,8-11,18H2,1-2H3,(H,32,36)/t26-/m0/s1