1-(4-chlorophenyl)-5-(dimethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate

Systemtic Name: 1-(4-chlorophenyl)-5-(dimethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Openeye Name: 1-(4-chlorophenyl)-5-(dimethylamino)-2-thioxo-hexahydropyrimidine-4,6-dione hydrate CAS Name: 1-(4-chlorophenyl)-5-(dimethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate IUPAC Name: 1-(4-chlorophenyl)-5-(dimethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Traditional Name: 1-(4-chlorophenyl)-5-(dimethylamino)-2-thioxo-hexahydropyrimidine-4,6-quinone hydrate Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl.O

Isomeric SMILES

CN(C)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl.O

InChI

InChI=1S/C12H12ClN3O2S.H2O/c1-15(2)9-10(17)14-12(19)16(11(9)18)8-5-3-7(13)4-6-8;/h3-6,9H,1-2H3,(H,14,17,19);1H2