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

Systemtic Name: 2-butyl-6-(2,3-dimethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(2,3-dimethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(2,3-dimethylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(2,3-dimethylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(2,3-dimethylphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=CC(=C4C)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=CC(=C4C)C)C)N(C1=O)C

InChI

InChI=1S/C21H25N5O2/c1-6-7-11-24-19(27)17-18(23(5)21(24)28)22-20-25(17)12-14(3)26(20)16-10-8-9-13(2)15(16)4/h8-10,12H,6-7,11H2,1-5H3