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

Systemtic Name: 8-(chloromethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(chloromethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(chloromethyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(chloromethyl)-3-methyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O2/c1-18-12-11(13(20)17-14(18)21)19(10(7-15)16-12)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,20,21)