[(2S)-1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H21ClN4OS/c1-22(2)13(9-12-7-5-4-6-8-12)10-19-16(23)15-14(18)11-20-17(21-15)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,19,23)/p+1/t13-/m0/s1