3-(3-bromophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(3-bromophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-(3-bromophenyl)-7H-purine-2,6-dione CAS Name: 3-(3-bromophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-(3-bromophenyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-(3-bromophenyl)-7H-purine-2,6-quinone Formula: C18H13BrN4O2 MolecularWeight: 397.22542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN4O2/c19-13-7-4-8-14(9-13)23-16-15(20-11-21-16)17(24)22(18(23)25)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,20,21)