ethyl 1-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(N-ethyl-3-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:

CCN(C1=CC=CC(=C1)C)C(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

InChI

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