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

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(benzylamino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzylamino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-3-24-16(23)13-10-19-17(25-2)20(15(13)22)11-14(21)18-9-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,18,21)