6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 6-carbamimidoyl-N-phenyl-4-(2-pyrimidinylamino)-2-naphthalenecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 6-amidino-N-phenyl-4-(2-pyrimidylamino)-2-naphthamide; 2,2,2-trifluoroacetic acid Formula: C24H19F3N6O3 MolecularWeight: 496.44127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC(=C3C=C(C=CC3=C2)C(=N)N)NC4=NC=CC=N4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC(=C3C=C(C=CC3=C2)C(=N)N)NC4=NC=CC=N4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H18N6O.C2HF3O2/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22;3-2(4,5)1(6)7/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28);(H,6,7)