dimethyl-[(1S)-1-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]ammonium Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6/c1-26(2)19(16-9-5-3-6-10-16)14-22-20-18-13-25-27(21(18)24-15-23-20)17-11-7-4-8-12-17/h3-13,15,19H,14H2,1-2H3,(H,22,23,24)/p+1/t19-/m1/s1