3-(2-chloranyl-5-fluoranyl-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one

Systemtic Name: 3-(2-chloranyl-5-fluoranyl-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-5-fluoro-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-5-fluoro-4-methoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-5-fluoro-4-methoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-5-fluoro-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Formula: C22H30ClFN4O2 MolecularWeight: 436.950603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)F)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)F)C)CC

InChI

InChI=1S/C22H30ClFN4O2/c1-5-7-8-9-10-11-27-19(6-2)25-21-20(27)22(29)26(3)14-28(21)17-13-16(24)18(30-4)12-15(17)23/h12-13H,5-11,14H2,1-4H3