N-[3-[[6-(3-azanylpropylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[6-(3-azanylpropylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[6-(3-aminopropylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[6-(3-aminopropylamino)-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[6-(3-aminopropylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[6-(3-aminopropylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C24H25F3N8O MolecularWeight: 498.50351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NN(C4=NC(=NC=C34)NCCCN)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NN(C4=NC(=NC=C34)NCCCN)C

InChI

InChI=1S/C24H25F3N8O/c1-14-7-8-17(31-22(36)15-5-3-6-16(11-15)24(25,26)27)12-19(14)32-20-18-13-30-23(29-10-4-9-28)33-21(18)35(2)34-20/h3,5-8,11-13H,4,9-10,28H2,1-2H3,(H,31,36)(H,32,34)(H,29,30,33)