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

Systemtic Name: ethyl 2-[5-fluoranyl-4-oxidanylidene-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]ethanoate Openeye Name: ethyl 2-[5-fluoro-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]acetate CAS Name: 2-[5-fluoro-4-oxo-2-[(7H-purin-6-ylthio)methyl]-3-quinazolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-fluoro-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]acetate Traditional Name: 2-[5-fluoro-4-keto-2-[(7H-purin-6-ylthio)methyl]quinazolin-3-yl]acetic acid ethyl ester Formula: C18H15FN6O3S MolecularWeight: 414.413503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=C(C1=O)C(=CC=C2)F)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CCOC(=O)CN1C(=NC2=C(C1=O)C(=CC=C2)F)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H15FN6O3S/c1-2-28-13(26)6-25-12(24-11-5-3-4-10(19)14(11)18(25)27)7-29-17-15-16(21-8-20-15)22-9-23-17/h3-5,8-9H,2,6-7H2,1H3,(H,20,21,22,23)