sodium 5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidin-2-olate Openeye Name: sodium 5-allyl-5-(butylsulfanylmethyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-[(butylthio)methyl]-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(butylsulfanylmethyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-2-olate Traditional Name: sodium 5-allyl-5-[(butylthio)methyl]-4,6-diketo-1H-pyrimidin-2-olate Formula: C12H17N2NaO3S MolecularWeight: 292.32975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)NC(=NC1=O)[O-])CC=C.[Na+]

Isomeric SMILES

CCCCSCC1(C(=O)NC(=NC1=O)[O-])CC=C.[Na+]

InChI

InChI=1S/C12H18N2O3S.Na/c1-3-5-7-18-8-12(6-4-2)9(15)13-11(17)14-10(12)16;/h4H,2-3,5-8H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1