3-chloranyl-5-[4-[2-(2-methylpropylamino)pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-yl]phenol

Systemtic Name: 3-chloranyl-5-[4-[2-(2-methylpropylamino)pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-yl]phenol Openeye Name: 3-chloro-5-[4-[2-(isobutylamino)pyrimidin-4-yl]-1-(4-piperidyl)pyrazol-3-yl]phenol CAS Name: 3-chloro-5-[4-[2-(2-methylpropylamino)-4-pyrimidinyl]-1-(4-piperidinyl)-3-pyrazolyl]phenol IUPAC Name: 3-chloro-5-[4-[2-(2-methylpropylamino)pyrimidin-4-yl]-1-piperidin-4-ylpyrazol-3-yl]phenol Traditional Name: 3-chloro-5-[4-[2-(isobutylamino)pyrimidin-4-yl]-1-(4-piperidyl)pyrazol-3-yl]phenol Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=CC(=CC(=C3)Cl)O)C4CCNCC4

Isomeric SMILES

CC(C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=CC(=CC(=C3)Cl)O)C4CCNCC4

InChI

InChI=1S/C22H27ClN6O/c1-14(2)12-26-22-25-8-5-20(27-22)19-13-29(17-3-6-24-7-4-17)28-21(19)15-9-16(23)11-18(30)10-15/h5,8-11,13-14,17,24,30H,3-4,6-7,12H2,1-2H3,(H,25,26,27)