5-tert-butyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-tert-butyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-tert-butyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-tert-butyl-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-tert-butyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-22(2,3)19-15-20(23-9-10-26-11-13-28-14-12-26)27-21(25-19)18(16-24-27)17-7-5-4-6-8-17/h4-8,15-16,23H,9-14H2,1-3H3/p+1