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

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-3-5-10-8-11(18)17-14(16-10)22-9-12(19)15-7-4-6-13(20)21-2/h8H,3-7,9H2,1-2H3,(H,15,19)(H,16,17,18)