6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-butoxyphenyl)-2-butyl-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4OCCCC)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4OCCCC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-4-6-12-27-20(28)18-19(24(3)22(27)29)23-21-25(13-14-26(18)21)16-10-8-9-11-17(16)30-15-7-5-2/h8-11H,4-7,12-15H2,1-3H3