ethyl 3-ethyl-4-[[methyl-(phenylmethyl)amino]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[[methyl-(phenylmethyl)amino]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[benzyl(methyl)amino]methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[methyl-(phenylmethyl)amino]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(methyl)amino]methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[benzyl(methyl)amino]methyl]-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3/c1-6-30-23(18-29(5)17-20-11-9-8-10-12-20)24(26(31)33-7-2)25(28-27(30)32)22-15-13-21(14-16-22)19(3)4/h8-16,19,25H,6-7,17-18H2,1-5H3,(H,28,32)