ethyl 1-[[2,5-bis(fluoranyl)phenyl]methyl]-8-cyano-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxidanylidene-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 1-[[2,5-bis(fluoranyl)phenyl]methyl]-8-cyano-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxidanylidene-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-1-[(2,5-difluorophenyl)methyl]-7-(4-isobutoxyphenyl)-6-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-1-[(2,5-difluorophenyl)methyl]-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl-[2-(2-pyridinyl)ethyl]amino]methyl]-4-oxo-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-1-[(2,5-difluorophenyl)methyl]-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-1-(2,5-difluorobenzyl)-7-(4-isobutoxyphenyl)-4-keto-6-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C37H37F2N5O4 MolecularWeight: 653.717586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CCC3=CC=CC=N3)C4=CC=C(C=C4)OCC(C)C)C#N)CC5=C(C=CC(=C5)F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CCC3=CC=CC=N3)C4=CC=C(C=C4)OCC(C)C)C#N)CC5=C(C=CC(=C5)F)F

InChI

InChI=1S/C37H37F2N5O4/c1-5-47-37(46)31-21-43(20-26-18-27(38)11-14-32(26)39)35-30(19-40)34(25-9-12-29(13-10-25)48-23-24(2)3)33(44(35)36(31)45)22-42(4)17-15-28-8-6-7-16-41-28/h6-14,16,18,21,24H,5,15,17,20,22-23H2,1-4H3