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

Systemtic Name: N-[3-[[6-(4-azanylbutylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[6-(4-aminobutylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[6-(4-aminobutylamino)-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[6-(4-aminobutylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[6-(4-aminobutylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C25H27F3N8O MolecularWeight: 512.53009

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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)NCCCCN)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)NCCCCN)C

InChI

InChI=1S/C25H27F3N8O/c1-15-8-9-18(32-23(37)16-6-5-7-17(12-16)25(26,27)28)13-20(15)33-21-19-14-31-24(30-11-4-3-10-29)34-22(19)36(2)35-21/h5-9,12-14H,3-4,10-11,29H2,1-2H3,(H,32,37)(H,33,35)(H,30,31,34)