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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(4-butylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(4-butylphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-5-6-7-16-8-10-17(11-9-16)27-14(2)12-25-18-19(23-21(25)27)24(4)22(30)26(20(18)29)13-15(3)28/h8-12H,5-7,13H2,1-4H3