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

Systemtic Name: 4,7-dimethyl-2-(2-methylpropyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isobutyl-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(2-methylpropyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-methylpropyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isobutyl-4,7-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C

InChI

InChI=1S/C21H25N5O2/c1-14(2)12-26-19(27)17-18(23(4)21(26)28)22-20-24(15(3)13-25(17)20)11-10-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3