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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(4-iodophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(4-iodophenyl)barbituric acid Formula: C17H19IN4O3 MolecularWeight: 454.26223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H19IN4O3/c18-12-5-7-13(8-6-12)22-16(24)14(15(23)20-17(22)25)11-19-21-9-3-1-2-4-10-21/h5-8,11,19H,1-4,9-10H2,(H,20,23,25)