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

Systemtic Name: 3-(2-chloranyl-4,5-dimethoxy-phenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4,5-dimethoxy-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 3-(2-chloro-4,5-dimethoxyphenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4,5-dimethoxyphenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4,5-dimethoxy-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C23H33ClN4O3 MolecularWeight: 448.98612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)OC)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)OC)C)CC

InChI

InChI=1S/C23H33ClN4O3/c1-7-10-15(11-8-2)28-20(9-3)25-22-21(28)23(29)26(4)14-27(22)17-13-19(31-6)18(30-5)12-16(17)24/h12-13,15H,7-11,14H2,1-6H3