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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCCC(=O)NCCC(=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCCC(=O)NCCC(=O)[O-])C#N

InChI

InChI=1S/C14H18N4O4S/c1-2-3-10-9(8-15)13(22)18-14(17-10)23-7-5-11(19)16-6-4-12(20)21/h2-7H2,1H3,(H,16,19)(H,20,21)(H,17,18,22)/p-1