ethyl 4-(2,5-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-(2-furylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[(2-furanylmethylthio)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-6-[(2-furfurylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSCC3=CC=CO3

InChI

InChI=1S/C21H24N2O4S/c1-4-26-20(24)18-17(12-28-11-15-6-5-9-27-15)22-21(25)23-19(18)16-10-13(2)7-8-14(16)3/h5-10,19H,4,11-12H2,1-3H3,(H2,22,23,25)