3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H19FN4O5 MolecularWeight: 414.387063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H19FN4O5/c1-11-12-6-4-7-13(21)16(12)30-15(11)19(27)29-9-5-8-25-18(26)14-17(22-10-23(14)2)24(3)20(25)28/h4,6-7,10H,5,8-9H2,1-3H3