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

Systemtic Name: 8-butyl-2,4-dimethyl-6-phenethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-2,4-dimethyl-6-phenethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-2,4-dimethyl-6-phenethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-2,4-dimethyl-6-phenethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-2,4-dimethyl-6-phenethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-4-5-16-21-22(20-14-10-7-11-15-20)31(18-17-19-12-8-6-9-13-19)26-28-24-23(32(21)26)25(33)30(3)27(34)29(24)2/h6-15H,4-5,16-18H2,1-3H3