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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[3-(4-morpholin-4-iumyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)xanthine Formula: C20H26FN6O3+ MolecularWeight: 417.457243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN6O3/c1-25-17-16(18(28)24-20(25)29)27(13-14-3-5-15(21)6-4-14)19(23-17)22-7-2-8-26-9-11-30-12-10-26/h3-6H,2,7-13H2,1H3,(H,22,23)(H,24,28,29)/p+1