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

Systemtic Name: ethyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C26H29N3O4S/c1-4-20-13-9-10-18(3)23(20)28-22(30)17-29-24(31)21(25(32)33-5-2)16-27-26(29)34-15-14-19-11-7-6-8-12-19/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,28,30)