N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C17H29N6O+ MolecularWeight: 333.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC1=NC=NC2=C1C=NN2C)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNC1=NC=NC2=C1C=NN2C)[NH+]3CCOCC3

InChI

InChI=1S/C17H28N6O/c1-4-13(5-2)15(23-6-8-24-9-7-23)11-18-16-14-10-21-22(3)17(14)20-12-19-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,18,19,20)/p+1/t15-/m0/s1