3-(5-ethylfuran-2-yl)propyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-(5-ethylfuran-2-yl)propyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(5-ethyl-2-furyl)propyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(5-ethyl-2-furanyl)propyl ester IUPAC Name: 3-(5-ethylfuran-2-yl)propyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(5-ethyl-2-furyl)propyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CCCOC(=O)C2=C(NC(=S)NC2CO)C

Isomeric SMILES

CCC1=CC=C(O1)CCCOC(=O)C2=C(NC(=S)NC2CO)C

InChI

InChI=1S/C16H22N2O4S/c1-3-11-6-7-12(22-11)5-4-8-21-15(20)14-10(2)17-16(23)18-13(14)9-19/h6-7,13,19H,3-5,8-9H2,1-2H3,(H2,17,18,23)