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

Systemtic Name: 6-hexyl-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-4,7-dimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-2-(2-keto-1-methyl-propyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3/c1-6-7-8-9-10-22-12(2)11-23-15-16(20-18(22)23)21(5)19(27)24(17(15)26)13(3)14(4)25/h11,13H,6-10H2,1-5H3