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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

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