2-[4-oxidanylidene-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-phenyl-2-[(4-phenylpiperazino)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N)C5=CC=CC=C5

InChI

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