N1-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methyl-benzene-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N1-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methyl-benzene-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N1-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methyl-benzene-1,3-diamine; 2,2,2-trifluoroacetic acid CAS Name: N1-[4-(1H-indol-5-yloxy)-2-pyrimidinyl]-4-methylbenzene-1,3-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 1-N-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methylbenzene-1,3-diamine; 2,2,2-trifluoroacetic acid Traditional Name: (3-amino-4-methyl-phenyl)-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]amine; 2,2,2-trifluoroacetic acid Formula: C21H18F3N5O3 MolecularWeight: 445.39453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)NC=C4)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)NC=C4)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H17N5O.C2HF3O2/c1-12-2-3-14(11-16(12)20)23-19-22-9-7-18(24-19)25-15-4-5-17-13(10-15)6-8-21-17;3-2(4,5)1(6)7/h2-11,21H,20H2,1H3,(H,22,23,24);(H,6,7)