N3-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxy-benzene-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N3-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxy-benzene-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N3-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxy-benzene-1,3-diamine; 2,2,2-trifluoroacetic acid CAS Name: N3-[4-(1H-indol-5-yloxy)-2-pyrimidinyl]-4-methoxybenzene-1,3-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 3-N-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine; 2,2,2-trifluoroacetic acid Traditional Name: (5-amino-2-methoxy-phenyl)-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]amine; 2,2,2-trifluoroacetic acid Formula: C21H18F3N5O4 MolecularWeight: 461.39393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)NC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)NC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H17N5O2.C2HF3O2/c1-25-17-5-2-13(20)11-16(17)23-19-22-9-7-18(24-19)26-14-3-4-15-12(10-14)6-8-21-15;3-2(4,5)1(6)7/h2-11,21H,20H2,1H3,(H,22,23,24);(H,6,7)