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

Systemtic Name: 3-[[1-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[4,6-diketo-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2OC

InChI

InChI=1S/C17H22N4O3S/c1-20(2)10-6-9-18-11-12-15(22)19-17(25)21(16(12)23)13-7-4-5-8-14(13)24-3/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,22,25)/p+1