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

Systemtic Name: 6-cyclopentyl-4,7-dimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4,7-dimethyl-2-(o-tolylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4,7-dimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4,7-dimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4,7-dimethyl-2-(2-methylbenzyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C4N3C=C(N4C5CCCC5)C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C4N3C=C(N4C5CCCC5)C)N(C2=O)C

InChI

InChI=1S/C22H25N5O2/c1-14-8-4-5-9-16(14)13-26-20(28)18-19(24(3)22(26)29)23-21-25(18)12-15(2)27(21)17-10-6-7-11-17/h4-5,8-9,12,17H,6-7,10-11,13H2,1-3H3