methyl 2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N2CCCCCCC2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N2CCCCCCC2

InChI

InChI=1S/C16H23N3O4S/c1-23-15(22)10-12-9-13(20)18-16(17-12)24-11-14(21)19-7-5-3-2-4-6-8-19/h9H,2-8,10-11H2,1H3,(H,17,18,20)