5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]barbituric acid Formula: C16H19N5O5S MolecularWeight: 393.41756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C16H19N5O5S/c22-14-13(15(23)18-16(24)17-14)20-19-11-5-7-12(8-6-11)27(25,26)21-9-3-1-2-4-10-21/h5-8,19H,1-4,9-10H2,(H2,17,18,22,23,24)