2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]acetic acid IUPAC Name: 2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-16(2)7-11-14-10-6-4-3-5-9(10)13(15-11)19-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)