ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-amino-2-oxo-ethyl)-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-2-oxoethyl)-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-6-keto-2-(phenethylthio)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)N)SCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N)SCCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4S/c1-2-24-16(23)13-10-19-17(20(15(13)22)11-14(18)21)25-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H2,18,21)