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

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

CCC(C)N1C(=O)C2=C(N=C1SCC(=O)O)SC(=C2C)C

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C1SCC(=O)O)SC(=C2C)C

InChI

InChI=1S/C14H18N2O3S2/c1-5-7(2)16-13(19)11-8(3)9(4)21-12(11)15-14(16)20-6-10(17)18/h7H,5-6H2,1-4H3,(H,17,18)