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

Systemtic Name: 6-(3-imidazol-1-ylpropyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-imidazol-1-ylpropyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[3-(1-imidazolyl)propyl]-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-imidazol-1-ylpropyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-imidazol-1-ylpropyl)-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

InChI

InChI=1S/C23H25N7O2/c1-17-15-30-19-20(25-22(30)28(17)12-6-11-27-14-10-24-16-27)26(2)23(32)29(21(19)31)13-9-18-7-4-3-5-8-18/h3-5,7-8,10,14-16H,6,9,11-13H2,1-2H3