5-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid

Systemtic Name: 5-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Openeye Name: 5-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)pentanoic acid CAS Name: 5-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid IUPAC Name: 5-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Traditional Name: 5-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)valeric acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCCCC(=O)O

InChI

InChI=1S/C10H14N2O3S/c1-6-7(4-2-3-5-8(13)14)9(15)12-10(16)11-6/h2-5H2,1H3,(H,13,14)(H2,11,12,15,16)