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

Systemtic Name: 6-butyl-2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-2-[(2,5-dimethylphenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-2-[(2,5-dimethylphenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-2-(2,5-dimethylbenzyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=C(C=CC(=C4)C)C)C

InChI

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