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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(benzylamino)-2-oxo-ethyl]-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzylamino)-2-oxoethyl]-2-benzylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-2-30-22(29)19-14-25-23(31-16-18-11-7-4-8-12-18)26(21(19)28)15-20(27)24-13-17-9-5-3-6-10-17/h3-12,14H,2,13,15-16H2,1H3,(H,24,27)