5-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-fluorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)amine Formula: C17H19FN5S+ MolecularWeight: 344.429663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H18FN5S/c1-22-6-8-23(9-7-22)21-16-15-14(10-24-17(15)20-11-19-16)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,19,20,21)/p+1