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

Systemtic Name: 6-hexyl-4,7,8-trimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-4,7,8-trimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-2-(2-keto-1-methyl-propyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3/c1-7-8-9-10-11-23-12(2)13(3)24-16-17(21-19(23)24)22(6)20(28)25(18(16)27)14(4)15(5)26/h14H,7-11H2,1-6H3