ethyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-anilino-2-oxo-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-anilino-2-oxoethyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-2-oxoethyl)sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2-anilino-2-keto-ethyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-2-27-21(26)17-13-22-19(15-9-5-3-6-10-15)24-20(17)28-14-18(25)23-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,23,25)