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

Systemtic Name: 7-tert-butyl-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-tert-butyl-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-tert-butyl-2,4-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H25N5O2/c1-21(2,3)15-13-26-16-17(23(4)20(28)24(5)18(16)27)22-19(26)25(15)12-11-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3