ethyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC=CC=C2)C

InChI

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