2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)O)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)O)SC(=C2C)C

InChI

InChI=1S/C14H18N2O3S2/c1-4-5-6-16-13(19)11-8(2)9(3)21-12(11)15-14(16)20-7-10(17)18/h4-7H2,1-3H3,(H,17,18)