(2S)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: (2S)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: (2S)-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC2=CC=CC=C21)CN(C)C

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=NC2=CC=CC=C21)CN(C)C

InChI

InChI=1S/C14H17N3O2S/c1-9(14(18)19)20-13-10-6-4-5-7-11(10)15-12(16-13)8-17(2)3/h4-7,9H,8H2,1-3H3,(H,18,19)/t9-/m0/s1