9-(4-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 9-(4-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-fluorophenyl)-1-methyl-3-(p-tolylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 9-(4-fluorophenyl)-1-methyl-3-(4-methylbenzyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C23H23FN5O2+ MolecularWeight: 420.459423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC=C(C=C5)F)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC=C(C=C5)F)N(C2=O)C

InChI

InChI=1S/C23H22FN5O2/c1-15-4-6-16(7-5-15)14-29-21(30)19-20(26(2)23(29)31)25-22-27(12-3-13-28(19)22)18-10-8-17(24)9-11-18/h4-11H,3,12-14H2,1-2H3/p+1