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

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-(2-oxidanylpentyl)-5-prop-2-enyl-1H-pyrimidin-2-olate Openeye Name: sodium 5-allyl-5-(2-hydroxypentyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-(2-hydroxypentyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(2-hydroxypentyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-2-olate Traditional Name: sodium 5-allyl-5-(2-hydroxypentyl)-4,6-diketo-1H-pyrimidin-2-olate Formula: C12H17N2NaO4 MolecularWeight: 276.26415

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(C(=O)NC(=NC1=O)[O-])CC=C)O.[Na+]

Isomeric SMILES

CCCC(CC1(C(=O)NC(=NC1=O)[O-])CC=C)O.[Na+]

InChI

InChI=1S/C12H18N2O4.Na/c1-3-5-8(15)7-12(6-4-2)9(16)13-11(18)14-10(12)17;/h4,8,15H,2-3,5-7H2,1H3,(H2,13,14,16,17,18);/q;+1/p-1