ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-anilinoanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-anilinoanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-anilinoanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(4-anilinoanilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)SC

InChI

InChI=1S/C22H22N4O4S/c1-3-30-21(29)18-13-23-22(31-2)26(20(18)28)14-19(27)25-17-11-9-16(10-12-17)24-15-7-5-4-6-8-15/h4-13,24H,3,14H2,1-2H3,(H,25,27)