ethyl 2-[6-aminocarbonyl-2-(2-chloranyl-6-fluoranyl-phenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(2-chloranyl-6-fluoranyl-phenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(2-chloro-6-fluoro-phenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-chloro-6-fluorophenyl)-8-oxo-9-(2-oxolanylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(2-chloro-6-fluorophenyl)-8-oxo-9-(oxolan-2-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-chloro-6-fluoro-phenyl)-8-keto-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C21H21ClFN5O5 MolecularWeight: 477.873343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=C(C=CC=C4Cl)F)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=C(C=CC=C4Cl)F)C(=O)N

InChI

InChI=1S/C21H21ClFN5O5/c1-2-32-14(29)10-27-17-16(18(24)30)25-19(15-12(22)6-3-7-13(15)23)26-20(17)28(21(27)31)9-11-5-4-8-33-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H2,24,30)