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

Systemtic Name: [3,6-bis(chloranyl)-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3,6-dichlorobenzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3,6-dichloro-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3,6-dichloro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3,6-dichlorobenzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H14Cl2N4OS MolecularWeight: 393.29026

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N4OS/c18-11-2-3-12-13(10-11)25-15(14(12)19)16(24)22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10H,6-9H2