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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)F)C)CC

Isomeric SMILES

CCCCC(CC)N1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)F)C)CC

InChI

InChI=1S/C22H30ClFN4O2/c1-6-9-10-14(7-2)28-19(8-3)25-21-20(28)22(29)26(4)13-27(21)17-12-16(24)18(30-5)11-15(17)23/h11-12,14H,6-10,13H2,1-5H3