2-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazino]nicotinonitrile Formula: C21H18N6OS2 MolecularWeight: 434.53722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=C(C=CC=N5)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=C(C=CC=N5)C#N

InChI

InChI=1S/C21H18N6OS2/c22-11-14-3-1-5-23-19(14)27-8-6-26(7-9-27)12-17-24-20(28)18-15(13-30-21(18)25-17)16-4-2-10-29-16/h1-5,10,13H,6-9,12H2,(H,24,25,28)