ethyl 6-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN(CCC2=CC=CC=C2)CC3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN(CCC2=CC=CC=C2)CC3=CC=C(S3)C

InChI

InChI=1S/C22H27N3O3S/c1-3-28-21(26)19-13-23-22(27)24-20(19)15-25(14-18-10-9-16(2)29-18)12-11-17-7-5-4-6-8-17/h4-10H,3,11-15H2,1-2H3,(H2,23,24,27)