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

Systemtic Name: 5-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Openeye Name: 5-(4-oxo-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)pentanoic acid CAS Name: 5-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid IUPAC Name: 5-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Traditional Name: 5-(4-keto-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)valeric acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CCCCC(=O)O

InChI

InChI=1S/C15H16N2O3S/c18-12(19)9-5-4-8-11-13(10-6-2-1-3-7-10)16-15(21)17-14(11)20/h1-3,6-7H,4-5,8-9H2,(H,18,19)(H2,16,17,20,21)