7-(1H-benzimidazol-2-ylmethyl)-8-bromanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-(1H-benzimidazol-2-ylmethyl)-8-bromanyl-3-methyl-purine-2,6-dione Openeye Name: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methyl-purine-2,6-dione CAS Name: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione IUPAC Name: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione Traditional Name: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methyl-xanthine Formula: C14H11BrN6O2 MolecularWeight: 375.18014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C14H11BrN6O2/c1-20-11-10(12(22)19-14(20)23)21(13(15)18-11)6-9-16-7-4-2-3-5-8(7)17-9/h2-5H,6H2,1H3,(H,16,17)(H,19,22,23)