ethyl 6-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[1-(3-chlorophenyl)-2-imidazolyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[1-(3-chlorophenyl)imidazol-2-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17ClN4O3S/c1-2-25-15(23)13-9-20-16(24)21-14(13)10-26-17-19-6-7-22(17)12-5-3-4-11(18)8-12/h3-8H,2,9-10H2,1H3,(H2,20,21,24)