methyl 3-methyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: 2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-5-7-11-8-12(20)19-16(17-11)24-9-13(21)18-14(10(3)6-2)15(22)23-4/h8,10,14H,5-7,9H2,1-4H3,(H,18,21)(H,17,19,20)