7-tert-butyl-4-methyl-6H-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-tert-butyl-4-methyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-tert-butyl-4-methyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-4-methyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-4-methyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-tert-butyl-4-methyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2N1)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2N1)N(C(=O)NC3=O)C

InChI

InChI=1S/C12H15N5O2/c1-12(2,3)6-5-17-7-8(14-10(17)13-6)16(4)11(19)15-9(7)18/h5H,1-4H3,(H,13,14)(H,15,18,19)