3-[[4-[3-(6-azanyl-5-methoxy-pyridin-3-yl)-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile

Systemtic Name: 3-[[4-[3-(6-azanyl-5-methoxy-pyridin-3-yl)-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile Openeye Name: 3-[[4-[3-(6-amino-5-methoxy-3-pyridyl)-1-tetrahydropyran-4-yl-pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile CAS Name: 3-[[4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-(4-oxanyl)-4-pyrazolyl]-2-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[4-[3-(6-amino-5-methoxypyridin-3-yl)-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile Traditional Name: 3-[[4-[3-(6-amino-5-methoxy-3-pyridyl)-1-tetrahydropyran-4-yl-pyrazol-4-yl]pyrimidin-2-yl]amino]propionitrile Formula: C21H24N8O2 MolecularWeight: 420.46766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCCC#N)C4CCOCC4)N

Isomeric SMILES

COC1=C(N=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCCC#N)C4CCOCC4)N

InChI

InChI=1S/C21H24N8O2/c1-30-18-11-14(12-26-20(18)23)19-16(13-29(28-19)15-4-9-31-10-5-15)17-3-8-25-21(27-17)24-7-2-6-22/h3,8,11-13,15H,2,4-5,7,9-10H2,1H3,(H2,23,26)(H,24,25,27)