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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 2-(3,4-dimethoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 2-(3,4-dimethoxyphenyl)-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [2-(3,4-dimethoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-16-13-21(23-7-4-8-26-9-11-30-12-10-26)27-22(24-16)15-18(25-27)17-5-6-19(28-2)20(14-17)29-3/h5-6,13-15,23H,4,7-12H2,1-3H3/p+1