2-(5-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-3-(7H-purin-6-ylsulfanyl)propanoic acid

Systemtic Name: 2-(5-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-3-(7H-purin-6-ylsulfanyl)propanoic acid Openeye Name: 2-(5-fluoro-4-oxo-quinazolin-3-yl)-3-(7H-purin-6-ylsulfanyl)propanoic acid CAS Name: 2-(5-fluoro-4-oxo-3-quinazolinyl)-3-(7H-purin-6-ylthio)propanoic acid IUPAC Name: 2-(5-fluoro-4-oxoquinazolin-3-yl)-3-(7H-purin-6-ylsulfanyl)propanoic acid Traditional Name: 2-(5-fluoro-4-keto-quinazolin-3-yl)-3-(7H-purin-6-ylthio)propionic 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)C(CSC3=NC=NC4=C3NC=N4)C(=O)O

Isomeric SMILES

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

InChI

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