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

Systemtic Name: 8-azanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-hexyl-3-methyl-xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H19N5O2/c1-3-4-5-6-7-17-8-9(14-11(17)13)16(2)12(19)15-10(8)18/h3-7H2,1-2H3,(H2,13,14)(H,15,18,19)