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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC23C(=NC=N2)C(=O)NC(=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC23C(=NC=N2)C(=O)NC(=O)N3

InChI

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