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

Systemtic Name: 8-butyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c1-4-5-13-18-20(16-11-7-6-8-12-16)29(17-14-9-10-15-19(17)31)24-26-22-21(30(18)24)23(32)28(3)25(33)27(22)2/h6-12,14-15,31H,4-5,13H2,1-3H3