3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentyl-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentyl-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentyl-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentyl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentyl-2H-purin-6-one Traditional Name: 7-amyl-3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-2H-purin-6-one Formula: C21H28Cl2N4O MolecularWeight: 423.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(N2C3=C(C=C(C=C3)Cl)Cl)CC)C)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(N2C3=C(C=C(C=C3)Cl)Cl)CC)C)CC

InChI

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