1-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(4-chlorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C17H20ClN6O+ MolecularWeight: 359.8333

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H19ClN6O/c18-13-1-3-14(4-2-13)24-17-15(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21)/p+1