8-bromanyl-1,3-dimethyl-9-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(1-propyl-5-tetrazolyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[(1-propyltetrazol-5-yl)methyl]xanthine Formula: C12H15BrN8O2 MolecularWeight: 383.2039

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCCN1C(=NN=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C12H15BrN8O2/c1-4-5-21-7(15-16-17-21)6-20-9-8(14-11(20)13)10(22)19(3)12(23)18(9)2/h4-6H2,1-3H3