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

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C24H35ClN4O MolecularWeight: 431.0139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35ClN4O/c1-7-10-18(11-8-2)29-21(9-3)26-23-22(29)24(30)27(6)15-28(23)20-13-12-17(16(4)5)14-19(20)25/h12-14,16,18H,7-11,15H2,1-6H3