5,7-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 6-benzyl-5,7-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[3-(4-morpholin-4-iumyl)propyl]-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 6-benzyl-5,7-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 6-benzyl-5,7-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCC[NH+]3CCOCC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCC[NH+]3CCOCC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2/c1-17-20(15-19-7-4-3-5-8-19)18(2)28-22(26-17)21(16-25-28)23(29)24-9-6-10-27-11-13-30-14-12-27/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,24,29)/p+1