N4-methyl-7-[2-[4-(phenylmethyl)piperazin-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-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-[2-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-N4-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid CAS Name: N4-methyl-7-[2-[4-(phenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine; 2,2,2-trifluoroacetic acid Traditional Name: [2-amino-7-[2-(4-benzylpiperazino)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]-methyl-amine; 2,2,2-trifluoroacetic acid Formula: C28H27F6N7O2 MolecularWeight: 607.550099

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3N4CCN(CC4)CC5=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)CC5=CC=CC=C5)C(F)(F)F)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H26F3N7.C2HF3O2/c1-31-23-18-10-11-20(32-24(18)34-25(30)33-23)22-19(26(27,28)29)8-5-9-21(22)36-14-12-35(13-15-36)16-17-6-3-2-4-7-17;3-2(4,5)1(6)7/h2-11H,12-16H2,1H3,(H3,30,31,32,33,34);(H,6,7)