3-(5-pyrimidin-5-ylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-(5-pyrimidin-5-ylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-(5-pyrimidin-5-yl-3-pyridyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-[5-(5-pyrimidinyl)-3-pyridinyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-(5-pyrimidin-5-ylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[5-(5-pyrimidyl)-3-pyridyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propionitrile Formula: C21H15N9 MolecularWeight: 393.4041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC2=NC=NC(=C21)C3=CN(N=C3)C(CC#N)C4=CN=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1=CNC2=NC=NC(=C21)C3=CN(N=C3)C(CC#N)C4=CN=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C21H15N9/c22-3-1-19(15-5-14(6-23-7-15)16-8-24-12-25-9-16)30-11-17(10-29-30)20-18-2-4-26-21(18)28-13-27-20/h2,4-13,19H,1H2,(H,26,27,28)