7-methoxy-8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-methoxy-8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-methoxy-8-(pyrimidin-2-ylamino)naphthalene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 7-methoxy-8-(2-pyrimidinylamino)-2-naphthalenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 7-methoxy-8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 7-methoxy-8-(2-pyrimidylamino)-2-naphthamidine; 2,2,2-trifluoroacetic acid Formula: C20H17F6N5O5 MolecularWeight: 521.369899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)NC3=NC=CC=N3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)NC3=NC=CC=N3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H15N5O.2C2HF3O2/c1-22-13-6-5-10-3-4-11(15(17)18)9-12(10)14(13)21-16-19-7-2-8-20-16;2*3-2(4,5)1(6)7/h2-9H,1H3,(H3,17,18)(H,19,20,21);2*(H,6,7)