1-(1-bromanylpropyl)-3-methyl-7-phenylmethoxy-purine-2,6-dione

Systemtic Name: 1-(1-bromanylpropyl)-3-methyl-7-phenylmethoxy-purine-2,6-dione Openeye Name: 7-benzyloxy-1-(1-bromopropyl)-3-methyl-purine-2,6-dione CAS Name: 1-(1-bromopropyl)-3-methyl-7-phenylmethoxypurine-2,6-dione IUPAC Name: 1-(1-bromopropyl)-3-methyl-7-phenylmethoxypurine-2,6-dione Traditional Name: 7-benzoxy-1-(1-bromopropyl)-3-methyl-xanthine Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(=O)C2=C(N=CN2OCC3=CC=CC=C3)N(C1=O)C)Br

Isomeric SMILES

CCC(N1C(=O)C2=C(N=CN2OCC3=CC=CC=C3)N(C1=O)C)Br

InChI

InChI=1S/C16H17BrN4O3/c1-3-12(17)21-15(22)13-14(19(2)16(21)23)18-10-20(13)24-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3