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

Systemtic Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6OS/c1-3-26-8-10-27(11-9-26)21(29)17-14-24-28(20(17)16-6-7-16)22-23-13-15(2)19(25-22)18-5-4-12-30-18/h4-5,12-14,16H,3,6-11H2,1-2H3/p+1