7-(2-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl

InChI

InChI=1S/C16H17ClN4O2/c1-19-14-13(15(22)20(2)16(19)23)21(9-8-17)12(18-14)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3