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

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-5-phenyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-phenyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-phenyl-2-[[4-(2-pyridyl)piperazino]methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C24H22N6OS MolecularWeight: 442.53608

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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=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N)C5=CC=CC=N5

InChI

InChI=1S/C24H22N6OS/c25-9-11-30-21(16-28-12-14-29(15-13-28)20-8-4-5-10-26-20)27-23-22(24(30)31)19(17-32-23)18-6-2-1-3-7-18/h1-8,10,17H,11-16H2