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

Systemtic Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: [4-(2-methoxyethyl)-1-piperazin-4-iumyl]-[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C21H27N6O2S+ MolecularWeight: 427.54308

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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)CCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2S/c1-15-13-22-21(24-19(15)18-5-4-12-30-18)27-16(2)17(14-23-27)20(28)26-8-6-25(7-9-26)10-11-29-3/h4-5,12-14H,6-11H2,1-3H3/p+1