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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)N(C3=O)CCCC5=CC=CC=C5)C

InChI

InChI=1S/C24H27N7O2/c1-18-16-31-20-21(26-23(31)29(18)14-7-12-28-15-11-25-17-28)27(2)24(33)30(22(20)32)13-6-10-19-8-4-3-5-9-19/h3-5,8-9,11,15-17H,6-7,10,12-14H2,1-2H3