1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-xanthine Formula: C15H13BrN4O4 MolecularWeight: 393.19212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C15H13BrN4O4/c1-18-6-17-13-12(18)14(21)20(15(22)19(13)2)5-8-3-10-11(4-9(8)16)24-7-23-10/h3-4,6H,5,7H2,1-2H3