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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: 2-morpholin-4-ium-4-ylethyl-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine Formula: C21H28N5O+ MolecularWeight: 366.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C(=C1)NCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C=NN2C(=C1)NCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-2-6-18-15-20(22-9-10-25-11-13-27-14-12-25)26-21(24-18)19(16-23-26)17-7-4-3-5-8-17/h3-5,7-8,15-16,22H,2,6,9-14H2,1H3/p+1