2-[methyl(quinazolin-4-yl)amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[methyl(quinazolin-4-yl)amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[methyl(quinazolin-4-yl)amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[methyl(4-quinazolinyl)amino]butanoic acid IUPAC Name: 2-[methyl(quinazolin-4-yl)amino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-[methyl(quinazolin-4-yl)amino]butyric acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=NC2=CC=CC=C21)C(CCS)C(=O)O

Isomeric SMILES

CN(C1=NC=NC2=CC=CC=C21)C(CCS)C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-16(11(6-7-19)13(17)18)12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11,19H,6-7H2,1H3,(H,17,18)