1-[(3-bromophenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-[(3-bromophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(3-bromobenzyl)-3-methyl-xanthine Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Br)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Br)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H17BrN4O2/c1-23-18-17(24(13-22-18)11-14-6-3-2-4-7-14)19(26)25(20(23)27)12-15-8-5-9-16(21)10-15/h2-10,13H,11-12H2,1H3