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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-pentyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-pentyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-pentyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-pentyl-2H-purin-6-one Traditional Name: 7-amyl-3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

InChI

InChI=1S/C20H27ClN4O2/c1-5-7-8-11-24-17(6-2)22-19-18(24)20(26)23(3)13-25(19)16-10-9-14(27-4)12-15(16)21/h9-10,12H,5-8,11,13H2,1-4H3