6-butan-2-yl-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butan-2-yl-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-hexyl-4,7,8-trimethyl-6-sec-butyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butan-2-yl-2-hexyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butan-2-yl-2-hexyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-hexyl-4,7,8-trimethyl-6-sec-butyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)CC)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)CC)C)C)N(C1=O)C

InChI

InChI=1S/C20H31N5O2/c1-7-9-10-11-12-23-18(26)16-17(22(6)20(23)27)21-19-24(13(3)8-2)14(4)15(5)25(16)19/h13H,7-12H2,1-6H3