2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazino)sulfonylbenzonitrile Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C17H15N5O2S2/c18-11-13-3-1-2-4-15(13)26(23,24)22-8-6-21(7-9-22)16-14-5-10-25-17(14)20-12-19-16/h1-5,10,12H,6-9H2