(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N6OS/c29-21(26-11-13-27(14-12-26)22-23-9-5-10-24-22)18-16-28(17-6-2-1-3-7-17)25-20(18)19-8-4-15-30-19/h1-10,15-16H,11-14H2