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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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