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

Systemtic Name: N-methyl-1-(3-methylphenyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-methyl-1-(m-tolyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-methyl-1-(3-methylphenyl)-N-[2-(2-pyridin-1-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-methyl-1-(3-methylphenyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: methyl-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-pyridin-1-ium-2-ylethyl)amine Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N(C)CCC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N(C)CCC4=CC=CC=[NH+]4

InChI

InChI=1S/C20H20N6/c1-15-6-5-8-17(12-15)26-20-18(13-24-26)19(22-14-23-20)25(2)11-9-16-7-3-4-10-21-16/h3-8,10,12-14H,9,11H2,1-2H3/p+1