sodium; 4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: sodium; 4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: sodium; 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione; 4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium; 4,6-dioxo-1H-pyrimidin-2-olate; 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: sodium; 4,6-dioxo-1H-pyrimidin-2-olate; 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: sodium; 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)barbituric acid; 4,6-diketo-1H-pyrimidin-2-olate Formula: C18H21N4NaO6 MolecularWeight: 412.37231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C.C1C(=O)NC(=NC1=O)[O-].[Na+]

Isomeric SMILES

CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C.C1C(=O)NC(=NC1=O)[O-].[Na+]

InChI

InChI=1S/C14H18N2O3.C4H4N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;7-2-1-3(8)6-4(9)5-2;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);1H2,(H2,5,6,7,8,9);/q;;+1/p-1