2-[[4-[(4-ethoxyphenyl)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(4-ethoxyphenyl)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(4-ethoxyanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[4-(4-ethoxyanilino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(4-ethoxyanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl]ammonium Formula: C25H32N7O+ MolecularWeight: 446.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C25H31N7O/c1-4-31(5-2)17-16-26-25-29-23(28-19-12-14-21(15-13-19)33-6-3)22-18-27-32(24(22)30-25)20-10-8-7-9-11-20/h7-15,18H,4-6,16-17H2,1-3H3,(H2,26,28,29,30)/p+1