N-[3-[[6-[2,3-bis(oxidanyl)propylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[6-[2,3-bis(oxidanyl)propylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[6-(2,3-dihydroxypropylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[6-(2,3-dihydroxypropylamino)-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[6-(2,3-dihydroxypropylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[6-(glycerylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C24H24F3N7O3 MolecularWeight: 515.48767

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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)NCC(CO)O)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)NCC(CO)O)C

InChI

InChI=1S/C24H24F3N7O3/c1-13-6-7-16(30-22(37)14-4-3-5-15(8-14)24(25,26)27)9-19(13)31-20-18-11-29-23(28-10-17(36)12-35)32-21(18)34(2)33-20/h3-9,11,17,35-36H,10,12H2,1-2H3,(H,30,37)(H,31,33)(H,28,29,32)