7-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1-butyltetrazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(1-butyl-5-tetrazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1-butyltetrazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-butyltetrazol-5-yl)methyl]-1,3-dimethyl-xanthine Formula: C13H18N8O2 MolecularWeight: 318.33442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCN1C(=NN=N1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H18N8O2/c1-4-5-6-21-9(15-16-17-21)7-20-8-14-11-10(20)12(22)19(3)13(23)18(11)2/h8H,4-7H2,1-3H3