2-[4-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C24H22N5O3S2+ MolecularWeight: 492.59318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C24H21N5O3S2/c25-15-18-8-4-5-9-21(18)34(31,32)29-12-10-28(11-13-29)16-22-26-23(30)19-14-20(33-24(19)27-22)17-6-2-1-3-7-17/h1-9,14H,10-13,16H2,(H,26,27,30)/p+1