8-(chloromethyl)-3-methyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-3-methyl-7-phenacyl-xanthine Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13ClN4O3/c1-19-13-12(14(22)18-15(19)23)20(11(7-16)17-13)8-10(21)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,22,23)