3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium Traditional Name: 3-[(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O2S/c1-19(2)10-6-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,21,23)/p+1