N4-methyl-7-[2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N4-methyl-7-[2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N4-methyl-7-[2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid CAS Name: N4-methyl-7-[2-(4-phenyl-1-piperazinyl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 4-N-methyl-7-[2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid Traditional Name: [2-amino-7-[2-(4-phenylpiperazino)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]-methyl-amine; 2,2,2-trifluoroacetic acid Formula: C27H25F6N7O2 MolecularWeight: 593.523519

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3N4CCN(CC4)C5=CC=CC=C5)C(F)(F)F)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3N4CCN(CC4)C5=CC=CC=C5)C(F)(F)F)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C25H24F3N7.C2HF3O2/c1-30-22-17-10-11-19(31-23(17)33-24(29)32-22)21-18(25(26,27)28)8-5-9-20(21)35-14-12-34(13-15-35)16-6-3-2-4-7-16;3-2(4,5)1(6)7/h2-11H,12-15H2,1H3,(H3,29,30,31,32,33);(H,6,7)