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

Systemtic Name: 3-(4-chlorophenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Openeye Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 3-(4-chlorophenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(4-chlorophenyl)-8-ethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one Traditional Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O/c1-5-8-17(9-6-2)26-18(7-3)23-20-19(26)21(27)24(4)14-25(20)16-12-10-15(22)11-13-16/h10-13,17H,5-9,14H2,1-4H3