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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-2H-purin-6-one Formula: C21H28Cl2N4O MolecularWeight: 423.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N4O/c1-5-8-9-15(6-2)27-18(7-3)24-20-19(27)21(28)25(4)13-26(20)17-11-10-14(22)12-16(17)23/h10-12,15H,5-9,13H2,1-4H3