N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25)/p+1/t19-/m0/s1