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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(benzylamino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CC=C2)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CC=C2)SCCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-2-31-23(30)20-16-26-24(32-14-13-18-9-5-3-6-10-18)27(22(20)29)17-21(28)25-15-19-11-7-4-8-12-19/h3-12,16H,2,13-15,17H2,1H3,(H,25,28)