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

Systemtic Name: 3-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-(2-methoxyphenyl)-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H27N5O2/c1-16-14-20(22-8-5-9-25-10-12-28-13-11-25)26-21(24-16)18(15-23-26)17-6-3-4-7-19(17)27-2/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3/p+1