5-butyl-1-methyl-2-prop-2-enylsulfanyl-pyrimidine-4,6-dione; sodium

Systemtic Name: 5-butyl-1-methyl-2-prop-2-enylsulfanyl-pyrimidine-4,6-dione; sodium Openeye Name: 2-allylsulfanyl-5-butyl-1-methyl-pyrimidine-4,6-dione; sodium CAS Name: 5-butyl-1-methyl-2-(prop-2-enylthio)pyrimidine-4,6-dione; sodium IUPAC Name: 5-butyl-1-methyl-2-prop-2-enylsulfanylpyrimidine-4,6-dione; sodium Traditional Name: 2-(allylthio)-5-butyl-1-methyl-pyrimidine-4,6-quinone; sodium Formula: C12H18N2NaO2S MolecularWeight: 277.33829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N=C(N(C1=O)C)SCC=C.[Na]

Isomeric SMILES

CCCCC1C(=O)N=C(N(C1=O)C)SCC=C.[Na]

InChI

InChI=1S/C12H18N2O2S.Na/c1-4-6-7-9-10(15)13-12(17-8-5-2)14(3)11(9)16;/h5,9H,2,4,6-8H2,1,3H3;