4-(diethylamino)-2-methylsulfanyl-quinazoline-7-carboxylic acid

Systemtic Name: 4-(diethylamino)-2-methylsulfanyl-quinazoline-7-carboxylic acid Openeye Name: 4-(diethylamino)-2-methylsulfanyl-quinazoline-7-carboxylic acid CAS Name: 4-(diethylamino)-2-(methylthio)-7-quinazolinecarboxylic acid IUPAC Name: 4-(diethylamino)-2-methylsulfanylquinazoline-7-carboxylic acid Traditional Name: 4-(diethylamino)-2-(methylthio)quinazoline-7-carboxylic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=C1C=CC(=C2)C(=O)O)SC

Isomeric SMILES

CCN(CC)C1=NC(=NC2=C1C=CC(=C2)C(=O)O)SC

InChI

InChI=1S/C14H17N3O2S/c1-4-17(5-2)12-10-7-6-9(13(18)19)8-11(10)15-14(16-12)20-3/h6-8H,4-5H2,1-3H3,(H,18,19)