ethyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C25H27N3O4S/c1-4-19-13-9-10-17(3)22(19)27-21(29)15-28-23(30)20(24(31)32-5-2)14-26-25(28)33-16-18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3,(H,27,29)