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

Systemtic Name: 8-butyl-6-(4-methoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-6-(4-methoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-6-(4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-6-(4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-6-(4-methoxyphenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-5-6-12-20-21(17-10-8-7-9-11-17)30(18-13-15-19(34-4)16-14-18)25-27-23-22(31(20)25)24(32)29(3)26(33)28(23)2/h7-11,13-16H,5-6,12H2,1-4H3