[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H25N6OS+ MolecularWeight: 397.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C20H24N6OS/c1-3-8-24-9-11-25(12-10-24)19(27)16-14-22-26(15(16)2)20-21-7-6-17(23-20)18-5-4-13-28-18/h4-7,13-14H,3,8-12H2,1-2H3/p+1