1-[(3-chlorophenyl)methyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-7H-xanthine Formula: C12H9ClN4O2 MolecularWeight: 276.67846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C(=O)C3=C(NC2=O)N=CN3

InChI

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