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

Systemtic Name: 1-hexyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-hexyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-hexyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-hexyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-hexyl-3,7-dimethyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3