N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-isopropyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-5-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c1-17(2)20-15-21(23-9-6-10-26-11-13-28-14-12-26)27-22(25-20)19(16-24-27)18-7-4-3-5-8-18/h3-5,7-8,15-17,23H,6,9-14H2,1-2H3/p+1