7-(2-chloroethyl)-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-3-methyl-8-morpholino-xanthine Formula: C12H16ClN5O3 MolecularWeight: 313.74014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCl

InChI

InChI=1S/C12H16ClN5O3/c1-16-9-8(10(19)15-12(16)20)18(3-2-13)11(14-9)17-4-6-21-7-5-17/h2-7H2,1H3,(H,15,19,20)