1-[2-[2-oxidanylidene-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[2-oxidanylidene-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[2-oxo-4-[3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyridyl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[2-oxo-4-[3-(3-thiophenyl)-6-pyrazolo[1,5-a]pyrimidinyl]-1-pyridinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[2-oxo-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[2-keto-4-[3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyridyl]ethyl]isonipecotonitrile Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)CCN2C=CC(=CC2=O)C3=CN4C(=C(C=N4)C5=CSC=C5)N=C3

Isomeric SMILES

C1CN(CCC1C#N)CCN2C=CC(=CC2=O)C3=CN4C(=C(C=N4)C5=CSC=C5)N=C3

InChI

InChI=1S/C23H22N6OS/c24-12-17-1-5-27(6-2-17)8-9-28-7-3-18(11-22(28)30)20-13-25-23-21(14-26-29(23)15-20)19-4-10-31-16-19/h3-4,7,10-11,13-17H,1-2,5-6,8-9H2