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

Systemtic Name: 7-tert-butyl-2,4-dimethyl-6-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-acetonyl-7-tert-butyl-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-2,4-dimethyl-6-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-2,4-dimethyl-6-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-acetonyl-7-tert-butyl-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C16H21N5O3/c1-9(22)7-20-10(16(2,3)4)8-21-11-12(17-14(20)21)18(5)15(24)19(6)13(11)23/h8H,7H2,1-6H3