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

Systemtic Name: 6-hexyl-4,7,8-trimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-2-isopentyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7,8-trimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7,8-trimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-2-isoamyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O2/c1-7-8-9-10-12-24-15(4)16(5)26-17-18(22-20(24)26)23(6)21(28)25(19(17)27)13-11-14(2)3/h14H,7-13H2,1-6H3