7-[(3-bromophenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-methoxy-1,3-dimethyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H15BrN4O3/c1-18-12-11(13(21)19(2)15(18)22)20(14(17-12)23-3)8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3