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

Systemtic Name: (2E)-2-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hexanoic acid Openeye Name: (2E)-2-(2-isopentylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[4-methyl-2-(3-methylbutylthio)-6-oxo-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxopyrimidin-5-ylidene]hexanoic acid Traditional Name: (2E)-2-[2-(isoamylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=NC(=NC1=O)SCCC(C)C)C)C(=O)O

Isomeric SMILES

CCCC/C(=C\1/C(=NC(=NC1=O)SCCC(C)C)C)/C(=O)O

InChI

InChI=1S/C16H24N2O3S/c1-5-6-7-12(15(20)21)13-11(4)17-16(18-14(13)19)22-9-8-10(2)3/h10H,5-9H2,1-4H3,(H,20,21)/b13-12+