8-azido-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-azido-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-azido-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-azido-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-azido-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-azido-3-methyl-xanthine Formula: C11H15N7O2 MolecularWeight: 277.2825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N=[N+]=[N-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N=[N+]=[N-])N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15N7O2/c1-3-4-5-6-18-7-8(13-10(18)15-16-12)17(2)11(20)14-9(7)19/h3-6H2,1-2H3,(H,14,19,20)