ethyl 6-(furan-3-yl)-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(furan-3-yl)-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1-ethylpropyl)-6-(3-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(3-furanyl)-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(furan-3-yl)-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1-ethylpropyl)-6-(3-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C(=C(NC(=S)N1)C2=COC=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)C1C(=C(NC(=S)N1)C2=COC=C2)C(=O)OCC

InChI

InChI=1S/C16H22N2O3S/c1-4-10(5-2)13-12(15(19)21-6-3)14(18-16(22)17-13)11-7-8-20-9-11/h7-10,13H,4-6H2,1-3H3,(H2,17,18,22)