4,7,8-trimethyl-2-phenacyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-phenacyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-phenacyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C25H23N5O3/c1-16-17(2)30-21-22(26-24(30)28(16)14-18-10-6-4-7-11-18)27(3)25(33)29(23(21)32)15-20(31)19-12-8-5-9-13-19/h4-13H,14-15H2,1-3H3