4-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazino]sulfonylbenzonitrile Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H21N5O2S2/c1-17-26-23(22-21(16-32-24(22)27-17)19-5-3-2-4-6-19)28-11-13-29(14-12-28)33(30,31)20-9-7-18(15-25)8-10-20/h2-10,16H,11-14H2,1H3