7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C18H22FN6O2+ MolecularWeight: 373.404683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H21FN6O2/c1-22-7-9-24(10-8-22)17-20-15-14(16(26)21-18(27)23(15)2)25(17)11-12-3-5-13(19)6-4-12/h3-6H,7-11H2,1-2H3,(H,21,26,27)/p+1