4-[5-methyl-2-[(2-methylphenyl)amino]pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[5-methyl-2-[(2-methylphenyl)amino]pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(2-methylanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[5-methyl-2-(o-toluidino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)NC(CO)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)N[C@H](CO)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N5O2/c1-16-8-6-7-11-20(16)29-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(32)28-22(15-31)18-9-4-3-5-10-18/h3-14,22,26,31H,15H2,1-2H3,(H,28,32)(H,27,29,30)/t22-/m1/s1