(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H14ClFN4OS MolecularWeight: 376.835663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C17H14ClFN4OS/c18-14-12-3-2-11(19)10-13(12)25-15(14)16(24)22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10H,6-9H2