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

Systemtic Name: 5-[[3-(diethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(diethylamino)propylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(diethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(diethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(diethylamino)propylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCN(CC)CCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C19H26N4O2S/c1-4-22(5-2)12-8-11-20-13-15-17(24)21-19(26)23(18(15)25)16-10-7-6-9-14(16)3/h6-7,9-10,13,20H,4-5,8,11-12H2,1-3H3,(H,21,24,26)