3-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: 3-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-17(2)9-12-15-11-6-4-3-5-10(11)14(16-12)20-8-7-13(18)19/h3-6H,7-9H2,1-2H3,(H,18,19)