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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[[4-(propanoylamino)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[4-(1-oxopropylamino)anilino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-propionamidoanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-3-14(24)21-11-5-7-12(8-6-11)22-15(25)10-28-18-20-9-13(16(19)23-18)17(26)27-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,24)(H,22,25)(H2,19,20,23)