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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione Openeye Name: 9-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione IUPAC Name: 9-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-bromo-1,3-dimethyl-xanthine Formula: C17H15BrN6O3 MolecularWeight: 431.2434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)CC4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C17H15BrN6O3/c1-22-14-13(15(25)23(2)17(22)26)20-16(18)24(14)9-12-19-11(21-27-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3