sodium 4,6-bis(oxidanylidene)-5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1H-pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1H-pyrimidin-2-olate Openeye Name: sodium 5-allyl-5-[(1S)-1-methylbutyl]-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1H-pyrimidin-2-olate Traditional Name: sodium 5-allyl-4,6-diketo-5-[(1S)-1-methylbutyl]-1H-pyrimidin-2-olate Formula: C12H17N2NaO3 MolecularWeight: 260.26475

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC=C.[Na+]

Isomeric SMILES

CCC[C@H](C)C1(C(=O)NC(=NC1=O)[O-])CC=C.[Na+]

InChI

InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1/t8-;/m0./s1