4-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: 4-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: 4-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]butyrate Formula: C14H17N4O4S- MolecularWeight: 337.37418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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