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

Systemtic Name: 4-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-methylpyridin-1-ium-2-yl)piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H22N7+ MolecularWeight: 372.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H21N7/c1-16-7-8-22-19(13-16)26-9-11-27(12-10-26)20-18-14-25-28(21(18)24-15-23-20)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3/p+1