[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-25-17-19-9-12(18)13(21-17)16(23)24-14(10-5-3-2-4-6-10)15(22)20-11-7-8-11/h2-6,9,11,14H,7-8H2,1H3,(H,20,22)