7-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1-butyltetrazol-5-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(1-butyl-5-tetrazolyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1-butyltetrazol-5-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-butyltetrazol-5-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C13H17ClN8O2 MolecularWeight: 352.77948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCCN1C(=NN=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C13H17ClN8O2/c1-4-5-6-22-8(16-17-18-22)7-21-9-10(15-12(21)14)19(2)13(24)20(3)11(9)23/h4-7H2,1-3H3