ethyl 4-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-anilino-2-oxo-ethyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-anilino-2-oxoethyl)thio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-2-oxoethyl)sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2-anilino-2-keto-ethyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-3-28-22(27)19-15(2)23-20(16-10-6-4-7-11-16)25-21(19)29-14-18(26)24-17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3,(H,24,26)