2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(2,5-dimethoxyphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-6-7-10-24-19(27)17-18(23(3)21(24)28)22-20-25(17)12-13(2)26(20)15-11-14(29-4)8-9-16(15)30-5/h8-9,11-12H,6-7,10H2,1-5H3