sodium 9-fluoranyl-3-phenyl-5,6-dihydropyrimido[4,5-c]acridine-7-carboxylate

Systemtic Name: sodium 9-fluoranyl-3-phenyl-5,6-dihydropyrimido[4,5-c]acridine-7-carboxylate Openeye Name: sodium 9-fluoro-3-phenyl-5,6-dihydropyrimido[4,5-c]acridine-7-carboxylate CAS Name: sodium 9-fluoro-3-phenyl-5,6-dihydropyrimido[4,5-c]acridine-7-carboxylate IUPAC Name: sodium 9-fluoro-3-phenyl-5,6-dihydropyrimido[4,5-c]acridine-7-carboxylate Traditional Name: sodium 9-fluoro-3-phenyl-5,6-dihydropyrimid[4,5-c]acridine-7-carboxylate Formula: C22H13FN3NaO2 MolecularWeight: 393.345693

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=NC=C2C3=C1C(=C4C=C(C=CC4=N3)F)C(=O)[O-])C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1CC2=NC(=NC=C2C3=C1C(=C4C=C(C=CC4=N3)F)C(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C22H14FN3O2.Na/c23-13-6-8-17-15(10-13)19(22(27)28)14-7-9-18-16(20(14)25-17)11-24-21(26-18)12-4-2-1-3-5-12;/h1-6,8,10-11H,7,9H2,(H,27,28);/q;+1/p-1