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

Systemtic Name: 4-[[4-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C25H24N5OS+ MolecularWeight: 442.55596

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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)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H23N5OS/c26-15-18-6-8-19(9-7-18)16-29-10-12-30(13-11-29)17-23-27-24(31)21-14-22(32-25(21)28-23)20-4-2-1-3-5-20/h1-9,14H,10-13,16-17H2,(H,27,28,31)/p+1