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

Systemtic Name: 5-methyl-3-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-methyl-3-(4-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-methyl-3-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [5-methyl-3-(p-tolyl)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=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)NCCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)NCCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H27N5O/c1-16-4-6-18(7-5-16)19-15-23-26-20(14-17(2)24-21(19)26)22-8-3-9-25-10-12-27-13-11-25/h4-7,14-15,22H,3,8-13H2,1-2H3/p+1