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

Systemtic Name: 5-[[3-(dimethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(dimethylamino)propylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(dimethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(dimethylamino)propylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(dimethylamino)propylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCCCN(C)C)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCCCN(C)C)C(=O)NC2=S

InChI

InChI=1S/C17H22N4O2S/c1-12-7-4-5-8-14(12)21-16(23)13(15(22)19-17(21)24)11-18-9-6-10-20(2)3/h4-5,7-8,11,18H,6,9-10H2,1-3H3,(H,19,22,24)