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

Systemtic Name: ethyl 4-(furan-2-yl)-2-oxidanylidene-6-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-benzylimidazol-2-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-2-oxo-6-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-benzylimidazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-benzylimidazol-2-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-2-29-20(27)18-16(24-21(28)25-19(18)17-9-6-12-30-17)14-31-22-23-10-11-26(22)13-15-7-4-3-5-8-15/h3-12,19H,2,13-14H2,1H3,(H2,24,25,28)