1-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2-benzoyl-4-bromo-phenyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2-benzoyl-4-bromophenyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2-benzoyl-4-bromophenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(2-benzoyl-4-bromo-phenyl)-7H-xanthine Formula: C18H11BrN4O3 MolecularWeight: 411.20894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=O)C4=C(NC3=O)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=O)C4=C(NC3=O)N=CN4

InChI

InChI=1S/C18H11BrN4O3/c19-11-6-7-13(12(8-11)15(24)10-4-2-1-3-5-10)23-17(25)14-16(21-9-20-14)22-18(23)26/h1-9H,(H,20,21)(H,22,26)