3-[[4-[3-(6-azanyl-5-methyl-pyridin-3-yl)-1-(2-methyl-1-oxidanyl-propan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile

Systemtic Name: 3-[[4-[3-(6-azanyl-5-methyl-pyridin-3-yl)-1-(2-methyl-1-oxidanyl-propan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile Openeye Name: 3-[[4-[3-(6-amino-5-methyl-3-pyridyl)-1-(2-hydroxy-1,1-dimethyl-ethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile CAS Name: 3-[[4-[3-(6-amino-5-methyl-3-pyridinyl)-1-(1-hydroxy-2-methylpropan-2-yl)-4-pyrazolyl]-2-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[4-[3-(6-amino-5-methylpyridin-3-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile Traditional Name: 3-[[4-[3-(6-amino-5-methyl-3-pyridyl)-1-(2-hydroxy-1,1-dimethyl-ethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propionitrile Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCCC#N)C(C)(C)CO)N

Isomeric SMILES

CC1=C(N=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCCC#N)C(C)(C)CO)N

InChI

InChI=1S/C20H24N8O/c1-13-9-14(10-25-18(13)22)17-15(11-28(27-17)20(2,3)12-29)16-5-8-24-19(26-16)23-7-4-6-21/h5,8-11,29H,4,7,12H2,1-3H3,(H2,22,25)(H,23,24,26)