3-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl-methyl-amino]propanoate

Systemtic Name: 3-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl-methyl-amino]propanoate Openeye Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-methyl-amino]propanoate CAS Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-methylamino]propanoate IUPAC Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-methylamino]propanoate Traditional Name: 3-[[2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-methyl-amino]propionate Formula: C14H17N4O4S- MolecularWeight: 337.37418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)N(C)CCC(=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)N(C)CCC(=O)[O-])C#N

InChI

InChI=1S/C14H18N4O4S/c1-3-4-10-9(7-15)13(22)17-14(16-10)23-8-11(19)18(2)6-5-12(20)21/h3-6,8H2,1-2H3,(H,20,21)(H,16,17,22)/p-1