6-(5-chloranyl-2-methyl-phenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methyl-phenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methyl-phenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methyl-phenyl)-2-hexyl-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H26ClN5O2 MolecularWeight: 415.91644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=CC(=C4)Cl)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=CC(=C4)Cl)C)N(C1=O)C

InChI

InChI=1S/C21H26ClN5O2/c1-4-5-6-7-10-27-19(28)17-18(24(3)21(27)29)23-20-25(11-12-26(17)20)16-13-15(22)9-8-14(16)2/h8-9,13H,4-7,10-12H2,1-3H3