1-(3-methylpyridin-2-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-methylpyridin-2-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-methyl-2-pyridyl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-methyl-2-pyridinyl)-4-(1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-methylpyridin-2-yl)-4-piperazin-4-ium-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-methyl-2-pyridyl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Formula: C15H18N7+ MolecularWeight: 296.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH2+]CC4

Isomeric SMILES

CC1=C(N=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH2+]CC4

InChI

InChI=1S/C15H17N7/c1-11-3-2-4-17-13(11)22-15-12(9-20-22)14(18-10-19-15)21-7-5-16-6-8-21/h2-4,9-10,16H,5-8H2,1H3/p+1