4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(oxan-3-ylmethyl)pyrimidin-2-amine

Systemtic Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(oxan-3-ylmethyl)pyrimidin-2-amine Openeye Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(tetrahydropyran-3-ylmethyl)pyrimidin-2-amine CAS Name: 4-[1-(3-chlorophenyl)-4-pyrazolyl]-N-(3-oxanylmethyl)-2-pyrimidinamine IUPAC Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(oxan-3-ylmethyl)pyrimidin-2-amine Traditional Name: [4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-(tetrahydropyran-3-ylmethyl)amine Formula: C19H20ClN5O MolecularWeight: 369.848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1)CNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(COC1)CNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H20ClN5O/c20-16-4-1-5-17(9-16)25-12-15(11-23-25)18-6-7-21-19(24-18)22-10-14-3-2-8-26-13-14/h1,4-7,9,11-12,14H,2-3,8,10,13H2,(H,21,22,24)