ethyl 1-[2-(diphenylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-(diphenylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(N-phenylanilino)ethyl]pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(N-phenylanilino)ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(N-phenylanilino)ethyl]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-[2-keto-2-(N-phenylanilino)ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S/c1-2-35-27(34)24-18-29-28(36-20-21-12-6-3-7-13-21)30(26(24)33)19-25(32)31(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,2,19-20H2,1H3