7-tert-butyl-2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-tert-butyl-2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-tert-butyl-6-[(E)-cinnamyl]-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-tert-butyl-6-[(E)-cinnamyl]-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2N1CC=CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2N1C/C=C/C4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H25N5O2/c1-22(2,3)16-14-27-17-18(24(4)21(29)25(5)19(17)28)23-20(27)26(16)13-9-12-15-10-7-6-8-11-15/h6-12,14H,13H2,1-5H3/b12-9+