8-bromanyl-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-3-methyl-1-phenacyl-xanthine Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O3/c1-24-18-17(25(20(22)23-18)12-14-8-4-2-5-9-14)19(28)26(21(24)29)13-16(27)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3