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

Systemtic Name: N-[3-methyl-5-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Openeye Name: N-[3-methyl-5-[(4-methylsulfonyl-1-piperidyl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine CAS Name: N-[3-methyl-5-[(4-methylsulfonyl-1-piperidinyl)methyl]phenyl]-4-(2-phenyl-3-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[3-methyl-5-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Traditional Name: [3-[(4-mesylpiperidino)methyl]-5-methyl-phenyl]-[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amine Formula: C27H30N6O2S MolecularWeight: 502.6311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCC(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCC(CC5)S(=O)(=O)C

InChI

InChI=1S/C27H30N6O2S/c1-20-16-21(19-32-14-10-24(11-15-32)36(2,34)35)18-22(17-20)30-27-28-12-8-25(31-27)26-9-13-29-33(26)23-6-4-3-5-7-23/h3-9,12-13,16-18,24H,10-11,14-15,19H2,1-2H3,(H,28,30,31)