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

Systemtic Name: ethyl 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)N2CCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C16H23N3O4S/c1-3-23-15(21)13-11(2)17-16(22)18-14(13)24-10-12(20)19-8-6-4-5-7-9-19/h3-10H2,1-2H3,(H,17,18,22)