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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methyl-1-piperazin-4-iumyl)amino]purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]xanthine Formula: C18H23FN7O2+ MolecularWeight: 388.419323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H22FN7O2/c1-23-7-9-25(10-8-23)22-17-20-15-14(16(27)21-18(28)24(15)2)26(17)11-12-3-5-13(19)6-4-12/h3-6H,7-11H2,1-2H3,(H,20,22)(H,21,27,28)/p+1