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

Systemtic Name: 2-[4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazino]sulfonylbenzonitrile Formula: C24H22N6O2S2 MolecularWeight: 490.60048

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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)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C5=CN=CC=C5)C

InChI

InChI=1S/C24H22N6O2S2/c1-16-17(2)33-24-21(16)23(27-22(28-24)19-7-5-9-26-15-19)29-10-12-30(13-11-29)34(31,32)20-8-4-3-6-18(20)14-25/h3-9,15H,10-13H2,1-2H3