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

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

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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)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6OS/c1-2-9-26-10-12-27(13-11-26)21(29)17-15-24-28(20(17)16-5-6-16)22-23-8-7-18(25-22)19-4-3-14-30-19/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/p+1