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

Systemtic Name: 4-[[4-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazino]methyl]benzonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

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