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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(1-propyl-5-tetrazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(1-propyltetrazol-5-yl)methyl]xanthine Formula: C12H15ClN8O2 MolecularWeight: 338.7529

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCN1C(=NN=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C12H15ClN8O2/c1-4-5-21-7(15-16-17-21)6-20-8-9(14-11(20)13)18(2)12(23)19(3)10(8)22/h4-6H2,1-3H3