8-azanyl-7-hexyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-amino-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-amino-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-amino-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-amino-7-hexyl-1,3-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H21N5O2/c1-4-5-6-7-8-18-9-10(15-12(18)14)16(2)13(20)17(3)11(9)19/h4-8H2,1-3H3,(H2,14,15)