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

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(2-fluorophenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(2-fluorophenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-fluorophenyl)-8-oxo-9-(2-oxolanylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(2-fluorophenyl)-8-oxo-9-(oxolan-2-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-fluorophenyl)-8-keto-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C21H22FN5O5 MolecularWeight: 443.428283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=CC=CC=C4F)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=CC=CC=C4F)C(=O)N

InChI

InChI=1S/C21H22FN5O5/c1-2-31-15(28)11-26-17-16(18(23)29)24-19(13-7-3-4-8-14(13)22)25-20(17)27(21(26)30)10-12-6-5-9-32-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,23,29)