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

Systemtic Name: 6-hexyl-4,7,8-trimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7,8-trimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7,8-trimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-hexyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C)C

Isomeric SMILES

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C)C

InChI

InChI=1S/C19H27N5O3/c1-6-7-8-9-10-22-13(3)14(4)24-15-16(20-18(22)24)21(5)19(27)23(17(15)26)11-12(2)25/h6-11H2,1-5H3