2-butyl-6-(3-chloranyl-4-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-butyl-6-(3-chloranyl-4-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(3-chloro-4-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(3-chloro-4-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(3-chloro-4-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(3-chloro-4-methyl-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=C(C=C4)C)Cl)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=C(C=C4)C)Cl)C)C)N(C1=O)C

InChI

InChI=1S/C21H24ClN5O2/c1-6-7-10-25-19(28)17-18(24(5)21(25)29)23-20-26(13(3)14(4)27(17)20)15-9-8-12(2)16(22)11-15/h8-9,11H,6-7,10H2,1-5H3