ethyl 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCCCC2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCCCC2)SC

InChI

InChI=1S/C16H23N3O4S/c1-3-23-15(22)12-10-17-16(24-2)19(14(12)21)11-13(20)18-8-6-4-5-7-9-18/h10H,3-9,11H2,1-2H3