ethyl 4-(4-methoxyphenyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-[[methyl(3-thienylmethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-[[methyl(3-thiophenylmethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[methyl(3-thenyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-28-20(25)18-17(12-24(2)11-14-9-10-29-13-14)22-21(26)23-19(18)15-5-7-16(27-3)8-6-15/h5-10,13,19H,4,11-12H2,1-3H3,(H2,22,23,26)