8-(2-bromophenyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-bromophenyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 8-(2-bromophenyl)-3-propyl-7H-purine-2,6-dione CAS Name: 8-(2-bromophenyl)-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-(2-bromophenyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 8-(2-bromophenyl)-3-propyl-7H-purine-2,6-quinone Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C14H13BrN4O2/c1-2-7-19-12-10(13(20)18-14(19)21)16-11(17-12)8-5-3-4-6-9(8)15/h3-6H,2,7H2,1H3,(H,16,17)(H,18,20,21)