(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H23N3O3S/c1-4-23-16(21)14-9-18-17(22)19-15(14)11-20(2)10-12-5-7-13(24-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,18,19,22)/p+1