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

Systemtic Name: 3-[[1-(2,5-dimethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(2,5-dimethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,5-dimethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,5-dimethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[1-(2,5-dimethoxyphenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-21(2)9-5-8-19-11-13-16(23)20-18(27)22(17(13)24)14-10-12(25-3)6-7-15(14)26-4/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,20,23,27)/p+1