6-(2-hydroxyphenyl)-2,4-dimethyl-8-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-8-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-8-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-8-pentyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-8-pentyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-amyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4O)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c1-4-5-7-15-19-21(17-12-8-6-9-13-17)30(18-14-10-11-16-20(18)32)25-27-23-22(31(19)25)24(33)29(3)26(34)28(23)2/h6,8-14,16,32H,4-5,7,15H2,1-3H3