dimethyl-[[4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-2-yl]methyl]azanium Openeye Name: dimethyl-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-2-yl]methyl]ammonium CAS Name: dimethyl-[[4-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-2-yl]methyl]azanium Traditional Name: [4-[[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

InChI

InChI=1S/C21H24N4OS/c1-15(16-9-5-4-6-10-16)22-20(26)14-27-21-17-11-7-8-12-18(17)23-19(24-21)13-25(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,26)/p+1/t15-/m0/s1