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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(1-naphthyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(1-naphthalenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(1-naphthyl)barbituric acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c26-19-17(14-22-24-12-5-1-2-6-13-24)20(27)25(21(28)23-19)18-11-7-9-15-8-3-4-10-16(15)18/h3-4,7-11,14,22H,1-2,5-6,12-13H2,(H,23,26,28)