4-(2-sulfanylidene-1H-pyrimidin-5-yl)butanoic acid

Systemtic Name: 4-(2-sulfanylidene-1H-pyrimidin-5-yl)butanoic acid Openeye Name: 4-(2-thioxo-1H-pyrimidin-5-yl)butanoic acid CAS Name: 4-(2-sulfanylidene-1H-pyrimidin-5-yl)butanoic acid IUPAC Name: 4-(2-sulfanylidene-1H-pyrimidin-5-yl)butanoic acid Traditional Name: 4-(2-thioxo-1H-pyrimidin-5-yl)butyric acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=S)N1)CCCC(=O)O

Isomeric SMILES

C1=C(C=NC(=S)N1)CCCC(=O)O

InChI

InChI=1S/C8H10N2O2S/c11-7(12)3-1-2-6-4-9-8(13)10-5-6/h4-5H,1-3H2,(H,11,12)(H,9,10,13)