1-[4-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperazino]ethanone Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H22N6O2S/c1-14(28)25-8-10-26(11-9-25)20(29)16-13-23-27(19(16)15-4-5-15)21-22-7-6-17(24-21)18-3-2-12-30-18/h2-3,6-7,12-13,15H,4-5,8-11H2,1H3