4,7,8-trimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2,6-diphenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2,6-diphenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2,6-diphenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C26H27N5O2/c1-18-19(2)31-22-23(27-25(31)29(18)16-14-20-10-6-4-7-11-20)28(3)26(33)30(24(22)32)17-15-21-12-8-5-9-13-21/h4-13H,14-17H2,1-3H3