(2E)-2-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]propanoic acid

Systemtic Name: (2E)-2-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]propanoic acid Openeye Name: (2E)-2-(2-isopentylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)propanoic acid CAS Name: (2E)-2-[4-methyl-2-(3-methylbutylthio)-6-oxo-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxopyrimidin-5-ylidene]propanoic acid Traditional Name: (2E)-2-[2-(isoamylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1=C(C)C(=O)O)SCCC(C)C

Isomeric SMILES

CC\1=NC(=NC(=O)/C1=C(\C)/C(=O)O)SCCC(C)C

InChI

InChI=1S/C13H18N2O3S/c1-7(2)5-6-19-13-14-9(4)10(11(16)15-13)8(3)12(17)18/h7H,5-6H2,1-4H3,(H,17,18)/b10-8+