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

Systemtic Name: [(1S)-2-[(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1-(4-tert-butylphenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-1-(4-tert-butylphenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[5-bromo-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-(4-tert-butylphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-[(5-bromo-2-methylsulfanylpyrimidine-4-carbonyl)amino]-1-(4-tert-butylphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-[[5-bromo-2-(methylthio)pyrimidine-4-carbonyl]amino]-1-(4-tert-butylphenyl)ethyl]-diethyl-ammonium Formula: C22H32BrN4OS+ MolecularWeight: 480.48468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=NC(=NC=C1Br)SC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=NC(=NC=C1Br)SC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31BrN4OS/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