8-hexoxy-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-hexoxy-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-hexoxy-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-hexoxy-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-hexoxy-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-hexoxy-1,3,7-trimethyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H22N4O3/c1-5-6-7-8-9-21-13-15-11-10(16(13)2)12(19)18(4)14(20)17(11)3/h5-9H2,1-4H3