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

Systemtic Name: ethyl 3-ethyl-4-[[methyl-(phenylmethyl)amino]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[benzyl(methyl)amino]methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[methyl-(phenylmethyl)amino]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(methyl)amino]methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[benzyl(methyl)amino]methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-25-18(14-24(3)13-16-9-7-6-8-10-16)19(21(26)28-5-2)20(23-22(25)27)17-11-12-29-15-17/h6-12,15,20H,4-5,13-14H2,1-3H3,(H,23,27)