1-(4-bromophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[(1-methylheptylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[(1-methylheptylamino)methylene]barbituric acid Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCC(C)NC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H24BrN3O3/c1-3-4-5-6-7-13(2)21-12-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-13,21H,3-7H2,1-2H3,(H,22,24,26)