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

Systemtic Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxidanylidene-pyrimidin-5-ylidene]hexanoic acid Openeye Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxo-pyrimidin-5-ylidene]hexanoic acid CAS Name: (2E)-2-[2-(cyclopentylmethylthio)-4-methyl-6-oxo-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxopyrimidin-5-ylidene]hexanoic acid Traditional Name: (2E)-2-[2-(cyclopentylmethylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=NC(=NC1=O)SCC2CCCC2)C)C(=O)O

Isomeric SMILES

CCCC/C(=C\1/C(=NC(=NC1=O)SCC2CCCC2)C)/C(=O)O

InChI

InChI=1S/C17H24N2O3S/c1-3-4-9-13(16(21)22)14-11(2)18-17(19-15(14)20)23-10-12-7-5-6-8-12/h12H,3-10H2,1-2H3,(H,21,22)/b14-13+