7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C19H23FN5O3+ MolecularWeight: 388.416023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C19H22FN5O3/c1-22-17-16(18(26)23(2)19(22)27)25(11-13-5-3-4-6-14(13)20)15(21-17)12-24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3/p+1