4-[2-(3-chlorophenyl)-7-methylsulfanyl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentyl-pyrimidin-2-amine

Systemtic Name: 4-[2-(3-chlorophenyl)-7-methylsulfanyl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentyl-pyrimidin-2-amine Openeye Name: 4-[2-(3-chlorophenyl)-7-methylsulfanyl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentyl-pyrimidin-2-amine CAS Name: 4-[2-(3-chlorophenyl)-7-(methylthio)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentyl-2-pyrimidinamine IUPAC Name: 4-[2-(3-chlorophenyl)-7-methylsulfanyl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentylpyrimidin-2-amine Traditional Name: [4-[2-(3-chlorophenyl)-7-(methylthio)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]pyrimidin-2-yl]-cyclopentyl-amine Formula: C22H22ClN6S+ MolecularWeight: 437.96828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+]=CCC2=C(C(=NN21)C3=CC(=CC=C3)Cl)C4=NC(=NC=C4)NC5CCCC5

Isomeric SMILES

CSC1=[N+]=CCC2=C(C(=NN21)C3=CC(=CC=C3)Cl)C4=NC(=NC=C4)NC5CCCC5

InChI

InChI=1S/C22H22ClN6S/c1-30-22-25-12-10-18-19(20(28-29(18)22)14-5-4-6-15(23)13-14)17-9-11-24-21(27-17)26-16-7-2-3-8-16/h4-6,9,11-13,16H,2-3,7-8,10H2,1H3,(H,24,26,27)/q+1