N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]ethanesulfonamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]ethanesulfonamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]ethanesulfonamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-2-pyrimidinyl]thio]phenyl]ethanesulfonamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanylphenyl]ethanesulfonamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]thio]phenyl]ethanesulfonamide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2S2/c1-3-32(29,30)28-17-9-11-18(12-10-17)31-22-23-19(16-7-5-4-6-8-16)14-20(25-22)24-21-13-15(2)26-27-21/h4-14,28H,3H2,1-2H3,(H2,23,24,25,26,27)