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

Systemtic Name: ethyl 3-methyl-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-methyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-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-methyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[benzyl(methyl)amino]methyl]-2-keto-3-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-4-27-20(25)18-17(13-23(2)12-15-8-6-5-7-9-15)24(3)21(26)22-19(18)16-10-11-28-14-16/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,26)