7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-3-methyl-8-(morpholinomethyl)xanthine Formula: C18H20FN5O3 MolecularWeight: 373.381503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C18H20FN5O3/c1-22-16-15(17(25)21-18(22)26)24(10-12-4-2-3-5-13(12)19)14(20-16)11-23-6-8-27-9-7-23/h2-5H,6-11H2,1H3,(H,21,25,26)