ethyl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C15H23N3O4S/c1-3-6-11-9-12(19)18-15(17-11)23-10-13(20)16-8-5-7-14(21)22-4-2/h9H,3-8,10H2,1-2H3,(H,16,20)(H,17,18,19)