3-methyl-5-[1-(1-methylazetidin-3-yl)-4-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrazol-3-yl]phenol

Systemtic Name: 3-methyl-5-[1-(1-methylazetidin-3-yl)-4-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrazol-3-yl]phenol Openeye Name: 3-[4-[2-(isobutylamino)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrazol-3-yl]-5-methyl-phenol CAS Name: 3-methyl-5-[1-(1-methyl-3-azetidinyl)-4-[2-(2-methylpropylamino)-4-pyrimidinyl]-3-pyrazolyl]phenol IUPAC Name: 3-methyl-5-[1-(1-methylazetidin-3-yl)-4-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrazol-3-yl]phenol Traditional Name: 3-[4-[2-(isobutylamino)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrazol-3-yl]-5-methyl-phenol Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCC(C)C)C4CN(C4)C)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)NCC(C)C)C4CN(C4)C)O

InChI

InChI=1S/C22H28N6O/c1-14(2)10-24-22-23-6-5-20(25-22)19-13-28(17-11-27(4)12-17)26-21(19)16-7-15(3)8-18(29)9-16/h5-9,13-14,17,29H,10-12H2,1-4H3,(H,23,24,25)