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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(4-morpholin-4-iumyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)xanthine Formula: C19H24FN6O3+ MolecularWeight: 403.430663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+]3CCOCC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+]3CCOCC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C19H23FN6O3/c1-24-16-15(17(27)23-19(24)28)26(12-13-2-4-14(20)5-3-13)18(22-16)21-6-7-25-8-10-29-11-9-25/h2-5H,6-12H2,1H3,(H,21,22)(H,23,27,28)/p+1