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

Systemtic Name: ethyl 4-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C15H22N4O3S/c1-2-22-14(21)11-9-17-15(18-13(11)16)23-10-12(20)19-7-5-3-4-6-8-19/h9H,2-8,10H2,1H3,(H2,16,17,18)