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

Systemtic Name: ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-amino-2-oxo-ethyl)-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-2-oxoethyl)-2-benzylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N)SCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4S/c1-2-23-15(22)12-8-18-16(19(14(12)21)9-13(17)20)24-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H2,17,20)