1-(3-methylphenyl)-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-methylphenyl)-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-morpholinopropylamino)methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methylphenyl)-5-[[3-(4-morpholinyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methylphenyl)-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-morpholinopropylamino)methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNCCCN3CCOCC3)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNCCCN3CCOCC3)C(=O)NC2=S

InChI

InChI=1S/C19H24N4O3S/c1-14-4-2-5-15(12-14)23-18(25)16(17(24)21-19(23)27)13-20-6-3-7-22-8-10-26-11-9-22/h2,4-5,12-13,20H,3,6-11H2,1H3,(H,21,24,27)