4-[5-methyl-2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[5-methyl-2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-(3-benzyloxyanilino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide CAS Name: N-(2-hydroxy-1-phenylethyl)-4-[5-methyl-2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-hydroxy-1-phenylethyl)-4-[5-methyl-2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-(3-benzoxyanilino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29N5O3/c1-21-17-33-31(34-25-13-8-14-26(16-25)39-20-22-9-4-2-5-10-22)36-29(21)24-15-27(32-18-24)30(38)35-28(19-37)23-11-6-3-7-12-23/h2-18,28,32,37H,19-20H2,1H3,(H,35,38)(H,33,34,36)