sodium 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: sodium 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 CAS Name: sodium 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: sodium 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 Formula: C14H18N2NaO3+ MolecularWeight: 285.29409

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.[Na+]

Isomeric SMILES

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

InChI

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