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

Systemtic Name: 8-azanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-amino-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-amino-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-amino-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-amino-3-methyl-7-octyl-xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H23N5O2/c1-3-4-5-6-7-8-9-19-10-11(16-13(19)15)18(2)14(21)17-12(10)20/h3-9H2,1-2H3,(H2,15,16)(H,17,20,21)