8-azanyl-3-butyl-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-azanyl-3-butyl-1,7-dimethyl-purine-2,6-dione Openeye Name: 8-amino-3-butyl-1,7-dimethyl-purine-2,6-dione CAS Name: 8-amino-3-butyl-1,7-dimethylpurine-2,6-dione IUPAC Name: 8-amino-3-butyl-1,7-dimethylpurine-2,6-dione Traditional Name: 8-amino-3-butyl-1,7-dimethyl-xanthine Formula: C11H17N5O2 MolecularWeight: 251.28498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C

InChI

InChI=1S/C11H17N5O2/c1-4-5-6-16-8-7(14(2)10(12)13-8)9(17)15(3)11(16)18/h4-6H2,1-3H3,(H2,12,13)