ethyl 4-azanyl-2-[2-[2-ethoxy-3-(propanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-ethoxy-3-(propanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-ethoxy-3-(propanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-ethoxy-3-(1-oxopropylamino)phenyl]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-ethoxy-3-(propanoylamino)phenyl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-ethoxy-3-propionamido-phenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1OCC)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1OCC)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C20H24N4O5S/c1-4-16(26)23-14-9-7-8-12(17(14)28-5-2)15(25)11-30-20-22-10-13(18(21)24-20)19(27)29-6-3/h7-10H,4-6,11H2,1-3H3,(H,23,26)(H2,21,22,24)