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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

Isomeric SMILES

CCCC(C)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

InChI

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