7-heptan-2-yl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-heptan-2-yl-1,3-dimethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methylhexyl)purine-2,6-dione CAS Name: 7-heptan-2-yl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-heptan-2-yl-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-methylhexyl)xanthine Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H22N4O2/c1-5-6-7-8-10(2)18-9-15-12-11(18)13(19)17(4)14(20)16(12)3/h9-10H,5-8H2,1-4H3