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

Systemtic Name: 6-hexyl-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-hexyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-hexyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C18H25N5O3/c1-5-6-7-8-9-21-12(2)10-22-14-15(19-17(21)22)20(4)18(26)23(16(14)25)11-13(3)24/h10H,5-9,11H2,1-4H3