1-(4-chlorophenyl)-5-[(4-methylpentylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-chlorophenyl)-5-[(4-methylpentylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(isohexylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(4-methylpentylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(4-methylpentylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-[(isohexylamino)methylene]barbituric acid Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-11(2)4-3-9-19-10-14-15(22)20-17(24)21(16(14)23)13-7-5-12(18)6-8-13/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,20,22,24)