[(1S)-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium Formula: C19H26ClN4O2S+ MolecularWeight: 409.95334

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H25ClN4O2S/c1-5-24(6-2)16(13-8-7-9-14(10-13)26-3)12-21-18(25)17-15(20)11-22-19(23-17)27-4/h7-11,16H,5-6,12H2,1-4H3,(H,21,25)/p+1/t16-/m1/s1