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

Systemtic Name: ethyl 6-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC)C)C

InChI

InChI=1S/C21H28N4O4S/c1-5-7-10-25-14(4)13(3)22-21(25)30-12-15-17(19(26)28-6-2)18(24-20(27)23-15)16-9-8-11-29-16/h8-9,11,18H,5-7,10,12H2,1-4H3,(H2,23,24,27)