2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazino]sulfonylbenzonitrile Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C19H19N5O2S2/c1-13-14(2)27-19-17(13)18(21-12-22-19)23-7-9-24(10-8-23)28(25,26)16-6-4-3-5-15(16)11-20/h3-6,12H,7-10H2,1-2H3