(4-cyclohexylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C25H33N6O2S+ MolecularWeight: 481.63352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCCC5)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCCC5)COC

InChI

InChI=1S/C25H32N6O2S/c1-18-15-26-25(28-23(18)22-9-6-14-34-22)31-21(17-33-2)20(16-27-31)24(32)30-12-10-29(11-13-30)19-7-4-3-5-8-19/h6,9,14-16,19H,3-5,7-8,10-13,17H2,1-2H3/p+1