2-[3-(4-methylpentan-2-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-methylpentan-2-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1,3-dimethylbutyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(4-methylpentan-2-yl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(4-methylpentan-2-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(1,3-dimethylbutyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

Isomeric SMILES

CC(C)CC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

InChI

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