ethyl 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,6-diketo-purin-7-yl]acetic acid ethyl ester Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)C4CCCC4

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)C4CCCC4

InChI

InChI=1S/C20H21FN4O4/c1-2-29-16(26)11-23-12-22-18-17(23)19(27)25(14-7-3-4-8-14)20(28)24(18)15-9-5-6-13(21)10-15/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3