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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-5-6-10-24-15(3)12-25-17-18(22-20(24)25)23(4)21(28)26(19(17)27)13-16-9-7-8-14(2)11-16/h7-9,11-12H,5-6,10,13H2,1-4H3