6-butyl-2-[(4-chlorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-2-[(4-chlorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-2-[(4-chlorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-2-[(4-chlorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-2-[(4-chlorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-2-(4-chlorobenzyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H22ClN5O2/c1-4-5-10-24-13(2)11-25-16-17(22-19(24)25)23(3)20(28)26(18(16)27)12-14-6-8-15(21)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3