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

Systemtic Name: dimethyl-[3-[[(5R)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl]azanium Openeye Name: dimethyl-[3-[[(5R)-1-(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl]ammonium CAS Name: dimethyl-[3-[[(5R)-1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(5R)-1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl]azanium Traditional Name: 3-[[(5R)-4,6-diketo-1-(o-tolyl)-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCCC[NH+](C)C

InChI

InChI=1S/C17H22N4O2S/c1-12-7-4-5-8-14(12)21-16(23)13(15(22)19-17(21)24)11-18-9-6-10-20(2)3/h4-5,7-8,11,13H,6,9-10H2,1-3H3,(H,19,22,24)/p+1/t13-/m1/s1