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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)NCCC[NH+]3CCOCC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)NCCC[NH+]3CCOCC3)C)C4=CC=CC=C4

InChI

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