2-[6-methyl-3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-(3-isopentyl-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-[6-methyl-3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-(3-isoamyl-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)CCC(C)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)CCC(C)C)CC(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-7(2)4-5-14-11(17)9(6-10(15)16)8(3)13-12(14)18/h7H,4-6H2,1-3H3,(H,13,18)(H,15,16)