[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-bromanyl-4-fluoranyl-benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H20BrFN4O4 MolecularWeight: 467.288903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)F)Br)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)F)Br)CC

InChI

InChI=1S/C19H20BrFN4O4/c1-3-5-8-25-16-15(17(26)23-19(25)28)24(4-2)14(22-16)10-29-18(27)12-7-6-11(21)9-13(12)20/h6-7,9H,3-5,8,10H2,1-2H3,(H,23,26,28)