1-phenyl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride

Systemtic Name: 1-phenyl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride Openeye Name: 1-phenyl-5-propyl-2-thioxo-hexahydropyrimidine-4,6-dione hydrochloride CAS Name: 1-phenyl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride IUPAC Name: 1-phenyl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride Traditional Name: 1-phenyl-5-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone hydrochloride Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C13H14N2O2S.ClH/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3,(H,14,16,18);1H