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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)O)C#N

InChI

InChI=1S/C10H11N3O3S/c1-2-3-7-6(4-11)9(16)13-10(12-7)17-5-8(14)15/h2-3,5H2,1H3,(H,14,15)(H,12,13,16)