1-hexyl-5-[[(2-morpholin-4-ylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-hexyl-5-[[(2-morpholin-4-ylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-hexyl-5-[(2-morpholinoanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-hexyl-5-[[2-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-hexyl-5-[(2-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-hexyl-5-[(2-morpholinoanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2=CC=CC=C2N3CCOCC3)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CNC2=CC=CC=C2N3CCOCC3)C(=O)NC1=S

InChI

InChI=1S/C21H28N4O3S/c1-2-3-4-7-10-25-20(27)16(19(26)23-21(25)29)15-22-17-8-5-6-9-18(17)24-11-13-28-14-12-24/h5-6,8-9,15,22H,2-4,7,10-14H2,1H3,(H,23,26,29)