2-[5-fluoranyl-4-oxidanylidene-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-4-oxidanylidene-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]acetic acid CAS Name: 2-[5-fluoro-4-oxo-2-[(7H-purin-6-ylthio)methyl]-3-quinazolinyl]acetic acid IUPAC Name: 2-[5-fluoro-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]acetic acid Traditional Name: 2-[5-fluoro-4-keto-2-[(7H-purin-6-ylthio)methyl]quinazolin-3-yl]acetic acid Formula: C16H11FN6O3S MolecularWeight: 386.360343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)F)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)CC(=O)O

InChI

InChI=1S/C16H11FN6O3S/c17-8-2-1-3-9-12(8)16(26)23(4-11(24)25)10(22-9)5-27-15-13-14(19-6-18-13)20-7-21-15/h1-3,6-7H,4-5H2,(H,24,25)(H,18,19,20,21)