[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H22ClFN4O4 MolecularWeight: 436.864483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CC=C3Cl)F)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CC=C3Cl)F)CCC

InChI

InChI=1S/C20H22ClFN4O4/c1-3-5-10-26-17-16(18(27)24-20(26)29)25(9-4-2)14(23-17)11-30-19(28)15-12(21)7-6-8-13(15)22/h6-8H,3-5,9-11H2,1-2H3,(H,24,27,29)