1-(3-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 3-morpholin-4-ium-4-ylpropyl-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C19H24N6O/c1-15-4-2-5-16(12-15)25-19-17(13-23-25)18(21-14-22-19)20-6-3-7-24-8-10-26-11-9-24/h2,4-5,12-14H,3,6-11H2,1H3,(H,20,21,22)/p+1