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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(2-fluorophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(2-fluorophenyl)barbituric acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H19FN4O3/c18-13-7-3-4-8-14(13)22-16(24)12(15(23)20-17(22)25)11-19-21-9-5-1-2-6-10-21/h3-4,7-8,11,19H,1-2,5-6,9-10H2,(H,20,23,25)