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

Systemtic Name: 1-(3-methylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(m-tolyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-methylphenyl)-N-(2-pyridin-1-iumylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-methylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-1-ium-2-ylmethyl)amine Formula: C18H17N6+ MolecularWeight: 317.36778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C18H16N6/c1-13-5-4-7-15(9-13)24-18-16(11-23-24)17(21-12-22-18)20-10-14-6-2-3-8-19-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)/p+1