(4-pyrimidin-2-ylpiperazin-1-yl)-[3,4,6-tris(chloranyl)-1-benzothiophen-2-yl]methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[3,4,6-tris(chloranyl)-1-benzothiophen-2-yl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,6-trichlorobenzothiophen-2-yl)methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-(3,4,6-trichloro-1-benzothiophen-2-yl)methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,6-trichloro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-(3,4,6-trichlorobenzothiophen-2-yl)methanone Formula: C17H13Cl3N4OS MolecularWeight: 427.73532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(C=C(C=C4S3)Cl)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(C=C(C=C4S3)Cl)Cl)Cl

InChI

InChI=1S/C17H13Cl3N4OS/c18-10-8-11(19)13-12(9-10)26-15(14(13)20)16(25)23-4-6-24(7-5-23)17-21-2-1-3-22-17/h1-3,8-9H,4-7H2