[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H24N6OS/c1-2-25-9-11-26(12-10-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-3-13-29-18/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3/p+1