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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-propionamidophenyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C18H20N4O4S/c1-3-15(24)21-12-7-5-11(6-8-12)14(23)10-27-18-20-9-13(16(19)22-18)17(25)26-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,24)(H2,19,20,22)