dimethyl-[[2-[[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C18H24N4O2S/c1-12-15(17(24)21-18(25)20-12)8-9-16(23)19-10-13-6-4-5-7-14(13)11-22(2)3/h4-7H,8-11H2,1-3H3,(H,19,23)(H2,20,21,24,25)/p+1