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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-methoxy-3-(propanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-methoxy-3-(propanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-methoxy-3-(1-oxopropylamino)phenyl]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-methoxy-3-(propanoylamino)phenyl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-methoxy-3-propionamido-phenyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1OC)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1OC)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C19H22N4O5S/c1-4-15(25)22-13-8-6-7-11(16(13)27-3)14(24)10-29-19-21-9-12(17(20)23-19)18(26)28-5-2/h6-9H,4-5,10H2,1-3H3,(H,22,25)(H2,20,21,23)