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

Systemtic Name: 6-(3,3-dimethyl-2-oxidanylidene-butyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,3-dimethyl-2-oxo-butyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,3-dimethyl-2-oxobutyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,3-dimethyl-2-oxobutyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-keto-3,3-dimethyl-butyl)-2,4,7-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC(=O)C(C)(C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC(=O)C(C)(C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H21N5O3/c1-9-7-21-11-12(18(5)15(24)19(6)13(11)23)17-14(21)20(9)8-10(22)16(2,3)4/h7H,8H2,1-6H3