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

Systemtic Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[3-(1-imidazolyl)propyl]-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C24H27N7O2/c1-17-18(2)31-20-21(26-23(31)29(17)13-7-12-28-15-11-25-16-28)27(3)24(33)30(22(20)32)14-10-19-8-5-4-6-9-19/h4-6,8-9,11,15-16H,7,10,12-14H2,1-3H3