1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 2-morpholin-4-ium-4-ylethyl-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H23N6O+ MolecularWeight: 339.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O/c1-14-3-2-4-15(11-14)24-18-16(12-22-24)17(20-13-21-18)19-5-6-23-7-9-25-10-8-23/h2-4,11-13H,5-10H2,1H3,(H,19,20,21)/p+1