5-ethyl-1-(3-iodanylphenyl)carbonyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-1-(3-iodanylphenyl)carbonyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-1-(3-iodobenzoyl)-5-isopentyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-1-[(3-iodophenyl)-oxomethyl]-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-1-(3-iodobenzoyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-ethyl-1-(3-iodobenzoyl)-5-isoamyl-barbituric acid Formula: C18H21IN2O4 MolecularWeight: 456.27481

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC(=CC=C2)I)CCC(C)C

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC(=CC=C2)I)CCC(C)C

InChI

InChI=1S/C18H21IN2O4/c1-4-18(9-8-11(2)3)15(23)20-17(25)21(16(18)24)14(22)12-6-5-7-13(19)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,23,25)