8-azanyl-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-heptyl-3-methyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H21N5O2/c1-3-4-5-6-7-8-18-9-10(15-12(18)14)17(2)13(20)16-11(9)19/h3-8H2,1-2H3,(H2,14,15)(H,16,19,20)