4-chloranyl-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(2-thenyl)piperazin-4-ium-1-yl]pyrimidin-2-yl]amine Formula: C13H17ClN5S+ MolecularWeight: 310.82558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C13H16ClN5S/c14-11-8-12(17-13(15)16-11)19-5-3-18(4-6-19)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2,(H2,15,16,17)/p+1