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

Systemtic Name: 8-heptyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-heptyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-heptyl-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-heptyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-heptyl-1,3,7-trimethyl-xanthine Formula: C15H24N4O2 MolecularWeight: 292.37666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H24N4O2/c1-5-6-7-8-9-10-11-16-13-12(17(11)2)14(20)19(4)15(21)18(13)3/h5-10H2,1-4H3