3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione CAS Name: 3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 3-(4-chlorobenzyl)-7H-purine-2,6-quinone Formula: C12H9ClN4O2 MolecularWeight: 276.67846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=O)NC2=O)NC=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=O)NC2=O)NC=N3)Cl

InChI

InChI=1S/C12H9ClN4O2/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)