4-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]quinazoline-7-carboxylate Openeye Name: 4-[[(1R)-1-carboxylato-3-methylsulfanyl-propyl]amino]quinazoline-7-carboxylate CAS Name: 4-[[(2R)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-7-quinazolinecarboxylate IUPAC Name: 4-[[(2R)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]amino]quinazoline-7-carboxylate Traditional Name: 4-[[(1R)-1-carboxylato-3-(methylthio)propyl]amino]quinazoline-7-carboxylate Formula: C14H13N3O4S-2 MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4S/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)/p-2/t10-/m1/s1