4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium

Systemtic Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium Openeye Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium CAS Name: 4-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl]morpholin-4-ium Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H19N5OS/c1-2-4-14(5-3-1)22-16-15(12-20-22)17(19-13-18-16)24-11-8-21-6-9-23-10-7-21/h1-5,12-13H,6-11H2/p+1