4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]quinazoline-7-carboxylic acid hydrochloride

Systemtic Name: 4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]quinazoline-7-carboxylic acid hydrochloride Openeye Name: 4-[(1-carboxy-3-methylsulfanyl-propyl)amino]quinazoline-7-carboxylic acid hydrochloride CAS Name: 4-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-7-quinazolinecarboxylic acid hydrochloride IUPAC Name: 4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]quinazoline-7-carboxylic acid hydrochloride Traditional Name: 4-[[1-carboxy-3-(methylthio)propyl]amino]quinazoline-7-carboxylic acid hydrochloride Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC=NC2=C1C=CC(=C2)C(=O)O.Cl

Isomeric SMILES

CSCCC(C(=O)O)NC1=NC=NC2=C1C=CC(=C2)C(=O)O.Cl

InChI

InChI=1S/C14H15N3O4S.ClH/c1-22-5-4-10(14(20)21)17-12-9-3-2-8(13(18)19)6-11(9)15-7-16-12;/h2-3,6-7,10H,4-5H2,1H3,(H,18,19)(H,20,21)(H,15,16,17);1H