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

Systemtic Name: ethyl 2-[1-cyclopropyl-3-(3-fluorophenyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-[1-cyclopropyl-3-(3-fluorophenyl)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[1-cyclopropyl-3-(3-fluorophenyl)-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-cyclopropyl-3-(3-fluorophenyl)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[1-cyclopropyl-3-(3-fluorophenyl)-2,6-diketo-purin-7-yl]acetic acid ethyl ester Formula: C18H17FN4O4 MolecularWeight: 372.350383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)C4CC4

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)C4CC4

InChI

InChI=1S/C18H17FN4O4/c1-2-27-14(24)9-21-10-20-16-15(21)17(25)23(12-6-7-12)18(26)22(16)13-5-3-4-11(19)8-13/h3-5,8,10,12H,2,6-7,9H2,1H3