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

Systemtic Name: ethyl 1-[[2,4-bis(fluoranyl)phenyl]methyl]-8-cyano-7-(4-methoxyphenyl)-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-[[benzyl(methyl)amino]methyl]-8-cyano-1-[(2,4-difluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-1-[(2,4-difluorophenyl)methyl]-7-(4-methoxyphenyl)-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[benzyl(methyl)amino]methyl]-8-cyano-1-[(2,4-difluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 6-[[benzyl(methyl)amino]methyl]-8-cyano-1-(2,4-difluorobenzyl)-4-keto-7-(4-methoxyphenyl)pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C34H30F2N4O4 MolecularWeight: 596.623206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)CC5=C(C=C(C=C5)F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)CC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C34H30F2N4O4/c1-4-44-34(42)28-20-39(19-24-10-13-25(35)16-29(24)36)32-27(17-37)31(23-11-14-26(43-3)15-12-23)30(40(32)33(28)41)21-38(2)18-22-8-6-5-7-9-22/h5-16,20H,4,18-19,21H2,1-3H3