8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-7H-purine-2,6-quinone Formula: C16H17BrN4O2 MolecularWeight: 377.23578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN4O2/c1-9(2)8-21-14-13(15(22)20-16(21)23)18-12(19-14)7-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,20,22,23)