5-(3-methylbutanoyl)-1-(3-methylbut-2-enyl)-3-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(3-methylbutanoyl)-1-(3-methylbut-2-enyl)-3-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-(3-methylbutanoyl)-3-(3-methylbut-2-enyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-methylbut-2-enyl)-5-(3-methyl-1-oxobutyl)-3-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-(3-methylbutanoyl)-3-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-isovaleryl-3-(3-methylbut-2-enyl)barbituric acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC=C(C)C

Isomeric SMILES

CC(C)CC(=O)C1C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC=C(C)C

InChI

InChI=1S/C21H26N2O4/c1-14(2)10-11-22-19(25)18(17(24)12-15(3)4)20(26)23(21(22)27)13-16-8-6-5-7-9-16/h5-10,15,18H,11-13H2,1-4H3