(2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-(methylthio)butyrate Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC(CCSC)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H22N4O2S/c1-20(2)10-14-17-12-7-5-4-6-11(12)15(19-14)18-13(16(21)22)8-9-23-3/h4-7,13H,8-10H2,1-3H3,(H,21,22)(H,17,18,19)/t13-/m0/s1