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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-propyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-4,7-dimethyl-2-propyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-4,7-dimethyl-2-propyl-purin[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)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC)C

InChI

InChI=1S/C22H27N5O2/c1-5-7-8-16-9-11-17(12-10-16)27-15(3)14-26-18-19(23-21(26)27)24(4)22(29)25(13-6-2)20(18)28/h9-12,14H,5-8,13H2,1-4H3