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

Systemtic Name: [5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C22H27N6O2S+ MolecularWeight: 439.55378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2S/c1-30-13-12-26-8-10-27(11-9-26)21(29)17-15-24-28(20(17)16-4-5-16)22-23-7-6-18(25-22)19-3-2-14-31-19/h2-3,6-7,14-16H,4-5,8-13H2,1H3/p+1