6-(4-butylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-butylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-4-methyl-2-(2-methylallyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-4-methyl-2-(2-methylallyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

InChI

InChI=1S/C22H27N5O2/c1-5-6-7-16-8-10-17(11-9-16)25-12-13-26-18-19(23-21(25)26)24(4)22(29)27(20(18)28)14-15(2)3/h8-11H,2,5-7,12-14H2,1,3-4H3