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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]ethyl]-diethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]ethyl]-diethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]ethyl]-diethyl-ammonium Formula: C22H32ClN4OS+ MolecularWeight: 436.03368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4OS/c1-7-27(8-2)18(15-9-11-16(12-10-15)22(3,4)5)14-24-20(28)19-17(23)13-25-21(26-19)29-6/h9-13,18H,7-8,14H2,1-6H3,(H,24,28)/p+1/t18-/m1/s1