5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1-methylbutyl)-5-prop-2-ynyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1-methylbutyl)-5-propargyl-barbituric acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=O)NC1=O)CC#C

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=O)NC1=O)CC#C

InChI

InChI=1S/C12H16N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h2,8H,4,6-7H2,1,3H3,(H2,13,14,15,16,17)