4-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-amine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-amine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-amine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-1-methyl-3-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amine Formula: C12H20N7+ MolecularWeight: 262.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=NN3C)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=NN3C)N

InChI

InChI=1S/C12H19N7/c1-3-18-4-6-19(7-5-18)12-9-10(13)16-17(2)11(9)14-8-15-12/h8H,3-7H2,1-2H3,(H2,13,16)/p+1