4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 4-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine IUPAC Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [4-[4-(2-thenyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C14H18N7S+ MolecularWeight: 316.40462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=NC(=NC4=C3C=NN4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=NC(=NC4=C3C=NN4)N

InChI

InChI=1S/C14H17N7S/c15-14-17-12-11(8-16-19-12)13(18-14)21-5-3-20(4-6-21)9-10-2-1-7-22-10/h1-2,7-8H,3-6,9H2,(H3,15,16,17,18,19)/p+1