1-(3-methylbutyl)-3-(phenylmethyl)-5-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-methylbutyl)-3-(phenylmethyl)-5-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-3-isopentyl-5-[2-(2-thienyl)acetyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-methylbutyl)-5-(1-oxo-2-thiophen-2-ylethyl)-3-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-3-(3-methylbutyl)-5-(2-thiophen-2-ylacetyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-3-isoamyl-5-[2-(2-thienyl)acetyl]barbituric acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C22H24N2O4S/c1-15(2)10-11-23-20(26)19(18(25)13-17-9-6-12-29-17)21(27)24(22(23)28)14-16-7-4-3-5-8-16/h3-9,12,15,19H,10-11,13-14H2,1-2H3