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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(3-chlorophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(3-chlorophenyl)barbituric acid Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3/c18-12-6-5-7-13(10-12)22-16(24)14(15(23)20-17(22)25)11-19-21-8-3-1-2-4-9-21/h5-7,10-11,19H,1-4,8-9H2,(H,20,23,25)