2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+](CC)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+](CC)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27N5O3S/c1-4-15(26)21-17-16(22-18(27)14-10-8-7-9-11-14)19(28)24-20(23-17)29-13-12-25(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,22,27)(H2,21,23,24,26,28)/p+1