N-[3-chloranyl-5-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine

Systemtic Name: N-[3-chloranyl-5-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Openeye Name: N-[3-chloro-5-[(4-methylsulfonyl-1-piperidyl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine CAS Name: N-[3-chloro-5-[(4-methylsulfonyl-1-piperidinyl)methyl]phenyl]-4-(2-phenyl-3-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[3-chloro-5-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Traditional Name: [3-chloro-5-[(4-mesylpiperidino)methyl]phenyl]-[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amine Formula: C26H27ClN6O2S MolecularWeight: 523.04958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCN(CC1)CC2=CC(=CC(=C2)Cl)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1CCN(CC1)CC2=CC(=CC(=C2)Cl)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C26H27ClN6O2S/c1-36(34,35)23-9-13-32(14-10-23)18-19-15-20(27)17-21(16-19)30-26-28-11-7-24(31-26)25-8-12-29-33(25)22-5-3-2-4-6-22/h2-8,11-12,15-17,23H,9-10,13-14,18H2,1H3,(H,28,30,31)