7-butyl-3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione Openeye Name: 7-butyl-3-ethyl-1-(6-hydroxy-6-methyl-heptyl)purine-2,6-dione CAS Name: 7-butyl-3-ethyl-1-(6-hydroxy-6-methylheptyl)purine-2,6-dione IUPAC Name: 7-butyl-3-ethyl-1-(6-hydroxy-6-methylheptyl)purine-2,6-dione Traditional Name: 7-butyl-3-ethyl-1-(6-hydroxy-6-methyl-heptyl)xanthine Formula: C19H32N4O3 MolecularWeight: 364.48238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O

InChI

InChI=1S/C19H32N4O3/c1-5-7-12-21-14-20-16-15(21)17(24)23(18(25)22(16)6-2)13-10-8-9-11-19(3,4)26/h14,26H,5-13H2,1-4H3