8-bromanyl-3-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7H-purine-2,6-dione CAS Name: 8-bromo-3-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7H-purine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7H-purine-2,6-quinone Formula: C12H9BrN4O2 MolecularWeight: 321.12946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)Br

InChI

InChI=1S/C12H9BrN4O2/c13-11-14-8-9(15-11)17(12(19)16-10(8)18)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H,16,18,19)