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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-3-methyl-xanthine Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H11ClN4O2/c1-17-11-10(12(19)16-13(17)20)18(7-15-11)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,19,20)