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

Systemtic Name: 4,7-dimethyl-6-(2-methylpropyl)-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-isobutyl-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-(2-methylpropyl)-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(2-methylpropyl)-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-isobutyl-4,7-dimethyl-2-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=C2N1CC(C)C)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC(C)C)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

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